 Entering Gaussian System, Link 0=g16
 Input=20_transdimethyltiirane_STD_wB97XD-def2SVPDr.in
 Output=20_transdimethyltiirane_STD_wB97XD-def2SVPDr.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/wB97XD_def2SVPD/20_transdimethyltiirane_STD/Gau-69400.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/wB97XD_def2SVPD/20_transdimethyltiirane_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     69404.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                24-Jul-2021 
 ******************************************
 %NoSave
 %nproc=16
 Will use up to   16 processors via shared memory.
 %mem=120GB
 %chk=20_transdimethyltiirane_STD_wB97XD-def2SVPDr
 ----------------------------------------------------------------------
 #P wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA
  Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-58,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Sat Jul 24 16:52:47 2021, MaxMem= 16106127360 cpu:               2.4 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "20_transdimethyltiirane_STD_wB97XD-def2SVPDr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 0.599491000000     -0.369878000000      0.431357000000
  C                                                -0.599488000000     -0.369888000000     -0.431357000000
  S                                                -0.000005000000      1.310943000000     -0.000002000000
  C                                                 1.938838000000     -0.811623000000     -0.094154000000
  C                                                -1.938831000000     -0.811630000000      0.094156000000
  H                                                 0.415368000000     -0.613481000000      1.473325000000
  H                                                -0.415358000000     -0.613502000000     -1.473321000000
  H                                                 2.751939000000     -0.367214000000      0.481119000000
  H                                                 2.030524000000     -1.899878000000     -0.024340000000
  H                                                 2.060606000000     -0.517889000000     -1.136950000000
  H                                                -2.751938000000     -0.367061000000     -0.480988000000
  H                                                -2.030600000000     -1.899865000000      0.024153000000
  H                                                -2.060517000000     -0.518072000000      1.137011000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     13 NQM=       13 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          32          12          12           1           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  31.9720718  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           1           1           1           1           1
 AtZEff=   3.6000000   3.6000000  13.6000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000  16.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        11          12          13
 IAtWgt=           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.093368
 Leave Link  101 at Sat Jul 24 16:52:47 2021, MaxMem= 16106127360 cpu:               1.6 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.599491   -0.369878    0.431357
      2          6           0       -0.599488   -0.369888   -0.431357
      3         16           0       -0.000005    1.310943   -0.000002
      4          6           0        1.938838   -0.811623   -0.094154
      5          6           0       -1.938831   -0.811630    0.094156
      6          1           0        0.415368   -0.613481    1.473325
      7          1           0       -0.415358   -0.613502   -1.473321
      8          1           0        2.751939   -0.367214    0.481119
      9          1           0        2.030524   -1.899878   -0.024340
     10          1           0        2.060606   -0.517889   -1.136950
     11          1           0       -2.751938   -0.367061   -0.480988
     12          1           0       -2.030600   -1.899865    0.024153
     13          1           0       -2.060517   -0.518072    1.137011
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.477101   0.000000
     3  S    1.835926   1.835930   0.000000
     4  C    1.505042   2.598448   2.876328   0.000000
     5  C    2.598447   1.505038   2.876322   3.882239   0.000000
     6  H    1.085791   2.171885   2.458991   2.194815   2.735621
     7  H    2.171882   1.085790   2.458999   2.735616   2.194814
     8  H    2.153025   3.473425   3.258970   1.090675   4.727639
     9  H    2.143925   3.069771   3.799080   1.094340   4.117536
    10  H    2.148570   2.756060   2.980502   1.090198   4.194926
    11  H    3.473393   2.153024   3.258862   4.727648   1.090676
    12  H    3.069862   2.143922   3.799104   4.117609   1.094339
    13  H    2.756003   2.148568   2.980571   4.194852   1.090197
                    6          7          8          9         10
     6  H    0.000000
     7  H    3.061508   0.000000
     8  H    2.550428   3.729915   0.000000
     9  H    2.550793   3.120360   1.767763   0.000000
    10  H    3.086986   2.500537   1.766010   1.774458   0.000000
    11  H    3.729865   2.550503   5.587335   5.042816   4.859384
    12  H    3.120520   2.550719   5.042868   4.061414   4.471687
    13  H    2.500443   3.086987   4.859289   4.471548   4.706862
                   11         12         13
    11  H    0.000000
    12  H    1.767762   0.000000
    13  H    1.766009   1.774458   0.000000
 Stoichiometry    C4H8S
 Framework group  C1[X(C4H8S)]
 Deg. of freedom    33
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 3.93D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.599491   -0.369878    0.431357
      2          6           0       -0.599488   -0.369888   -0.431357
      3         16           0       -0.000005    1.310943   -0.000002
      4          6           0        1.938838   -0.811623   -0.094154
      5          6           0       -1.938831   -0.811630    0.094156
      6          1           0        0.415368   -0.613481    1.473325
      7          1           0       -0.415358   -0.613502   -1.473321
      8          1           0        2.751939   -0.367214    0.481119
      9          1           0        2.030524   -1.899878   -0.024340
     10          1           0        2.060606   -0.517889   -1.136950
     11          1           0       -2.751938   -0.367061   -0.480988
     12          1           0       -2.030600   -1.899865    0.024153
     13          1           0       -2.060517   -0.518072    1.137011
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           5.3481899           3.5229824           2.3648219
 Leave Link  202 at Sat Jul 24 16:52:47 2021, MaxMem= 16106127360 cpu:               0.2 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       6      7      8      9     10     11     12     13
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      4      5
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       3
 S 5 1.00
     Exponent=  9.1849303010D+03 Coefficients= -2.2294387756D-03
     Exponent=  1.3815105503D+03 Coefficients= -1.6683029937D-02
     Exponent=  3.1387147580D+02 Coefficients= -7.5262436116D-02
     Exponent=  8.8053870623D+01 Coefficients= -1.9376827038D-01
     Exponent=  2.7039914905D+01 Coefficients= -1.7718020803D-01
 S 3 1.00
     Exponent=  4.5648731303D+01 Coefficients= -1.0736062573D-01
     Exponent=  4.9664522326D+00 Coefficients=  6.5066293018D-01
     Exponent=  2.0116242047D+00 Coefficients=  5.9712155354D-01
 S 1 1.00
     Exponent=  3.5661077013D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3507221477D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.4999823506D-02 Coefficients=  1.0000000000D+00
 P 5 1.00
     Exponent=  2.6198233439D+02 Coefficients= -9.2729929822D-03
     Exponent=  6.1306894736D+01 Coefficients= -6.6547669241D-02
     Exponent=  1.9103729887D+01 Coefficients= -2.4828595903D-01
     Exponent=  6.6567720378D+00 Coefficients= -4.8703847402D-01
     Exponent=  2.3959635161D+00 Coefficients= -3.9337850312D-01
 P 1 1.00
     Exponent=  6.1776161679D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.6993376871D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.1706793676D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.0172853717D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   181 symmetry adapted cartesian basis functions of A   symmetry.
 There are   171 symmetry adapted basis functions of A   symmetry.
   171 basis functions,   255 primitive gaussians,   181 cartesian basis functions
    24 alpha electrons       24 beta electrons
       nuclear repulsion energy       226.7594630262 Hartrees.
 IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 HFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.222036 cShort=  0.000000 cLong=  0.777964
 DFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   13 NActive=   13 NUniq=   13 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.0053893790 Hartrees.
 Nuclear repulsion after empirical dispersion term =      226.7540736472 Hartrees.
 Leave Link  301 at Sat Jul 24 16:52:48 2021, MaxMem= 16106127360 cpu:               9.4 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   171 RedAO= T EigKep=  1.08D-04  NBF=   171
 NBsUse=   171 1.00D-06 EigRej= -1.00D+00 NBFU=   171
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   181   181   181   181   181 MxSgAt=    13 MxSgA2=    13.
 Leave Link  302 at Sat Jul 24 16:52:48 2021, MaxMem= 16106127360 cpu:               3.2 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Sat Jul 24 16:52:49 2021, MaxMem= 16106127360 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "20_transdimethyltiirane_STD_wB97XD-def2SVPDr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    1.000000   -0.000000   -0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Sat Jul 24 16:52:49 2021, MaxMem= 16106127360 cpu:               2.4 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot= 16106127360 LenX= 16106057035 LenY= 16106023833
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -555.141766265711    
 DIIS: error= 4.55D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -555.141766265711     IErMin= 1 ErrMin= 4.55D-03
 ErrMax= 4.55D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.06D-03 BMatP= 5.06D-03
 IDIUse=3 WtCom= 9.54D-01 WtEn= 4.55D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.382 Goal=   None    Shift=    0.000
 GapD=    0.382 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=5.16D-03 MaxDP=1.17D-01              OVMax= 1.85D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  5.11D-03    CP:  1.03D+00
 E= -555.146497757905     Delta-E=       -0.004731492194 Rises=F Damp=F
 DIIS: error= 8.76D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -555.146497757905     IErMin= 2 ErrMin= 8.76D-04
 ErrMax= 8.76D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.33D-04 BMatP= 5.06D-03
 IDIUse=3 WtCom= 9.91D-01 WtEn= 8.76D-03
 Coeff-Com: -0.344D-01 0.103D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.341D-01 0.103D+01
 Gap=     0.373 Goal=   None    Shift=    0.000
 RMSDP=9.49D-04 MaxDP=2.31D-02 DE=-4.73D-03 OVMax= 6.18D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  3.53D-04    CP:  1.03D+00  1.17D+00
 E= -555.146675416350     Delta-E=       -0.000177658445 Rises=F Damp=F
 DIIS: error= 5.91D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -555.146675416350     IErMin= 3 ErrMin= 5.91D-04
 ErrMax= 5.91D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.21D-05 BMatP= 1.33D-04
 IDIUse=3 WtCom= 9.94D-01 WtEn= 5.91D-03
 Coeff-Com: -0.433D-01 0.457D+00 0.587D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.430D-01 0.454D+00 0.589D+00
 Gap=     0.373 Goal=   None    Shift=    0.000
 RMSDP=1.53D-04 MaxDP=5.53D-03 DE=-1.78D-04 OVMax= 2.58D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.36D-04    CP:  1.03D+00  1.17D+00  9.06D-01
 E= -555.146759911193     Delta-E=       -0.000084494844 Rises=F Damp=F
 DIIS: error= 1.21D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -555.146759911193     IErMin= 4 ErrMin= 1.21D-04
 ErrMax= 1.21D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.66D-06 BMatP= 8.21D-05
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.21D-03
 Coeff-Com: -0.813D-02 0.969D-02 0.141D+00 0.857D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.813D-02 0.967D-02 0.141D+00 0.857D+00
 Gap=     0.372 Goal=   None    Shift=    0.000
 RMSDP=5.39D-05 MaxDP=1.14D-03 DE=-8.45D-05 OVMax= 1.02D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  3.23D-05    CP:  1.03D+00  1.18D+00  9.83D-01  1.07D+00
 E= -555.146764710157     Delta-E=       -0.000004798963 Rises=F Damp=F
 DIIS: error= 5.21D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -555.146764710157     IErMin= 5 ErrMin= 5.21D-05
 ErrMax= 5.21D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.39D-07 BMatP= 3.66D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.163D-02-0.475D-01-0.162D-01 0.348D+00 0.714D+00
 Coeff:      0.163D-02-0.475D-01-0.162D-01 0.348D+00 0.714D+00
 Gap=     0.373 Goal=   None    Shift=    0.000
 RMSDP=1.55D-05 MaxDP=4.52D-04 DE=-4.80D-06 OVMax= 3.63D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.04D-05    CP:  1.03D+00  1.18D+00  1.00D+00  1.12D+00  8.82D-01
 E= -555.146765652058     Delta-E=       -0.000000941902 Rises=F Damp=F
 DIIS: error= 6.94D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -555.146765652058     IErMin= 6 ErrMin= 6.94D-06
 ErrMax= 6.94D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.43D-09 BMatP= 7.39D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.448D-03-0.387D-02-0.446D-02-0.104D-02 0.189D-01 0.990D+00
 Coeff:      0.448D-03-0.387D-02-0.446D-02-0.104D-02 0.189D-01 0.990D+00
 Gap=     0.373 Goal=   None    Shift=    0.000
 RMSDP=4.21D-06 MaxDP=9.26D-05 DE=-9.42D-07 OVMax= 1.34D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  1.94D-06    CP:  1.03D+00  1.18D+00  1.00D+00  1.13D+00  9.27D-01
                    CP:  1.18D+00
 E= -555.146765679825     Delta-E=       -0.000000027767 Rises=F Damp=F
 DIIS: error= 1.82D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -555.146765679825     IErMin= 7 ErrMin= 1.82D-06
 ErrMax= 1.82D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.29D-09 BMatP= 7.43D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.385D-04 0.291D-02 0.622D-03-0.280D-01-0.635D-01 0.123D+00
 Coeff-Com:  0.965D+00
 Coeff:     -0.385D-04 0.291D-02 0.622D-03-0.280D-01-0.635D-01 0.123D+00
 Coeff:      0.965D+00
 Gap=     0.373 Goal=   None    Shift=    0.000
 RMSDP=1.55D-06 MaxDP=4.83D-05 DE=-2.78D-08 OVMax= 5.48D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  7.81D-07    CP:  1.03D+00  1.18D+00  1.00D+00  1.12D+00  9.33D-01
                    CP:  1.29D+00  1.16D+00
 E= -555.146765683678     Delta-E=       -0.000000003853 Rises=F Damp=F
 DIIS: error= 7.78D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -555.146765683678     IErMin= 8 ErrMin= 7.78D-07
 ErrMax= 7.78D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.62D-10 BMatP= 1.29D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.532D-04 0.121D-02 0.671D-03-0.737D-02-0.194D-01-0.476D-01
 Coeff-Com:  0.274D+00 0.799D+00
 Coeff:     -0.532D-04 0.121D-02 0.671D-03-0.737D-02-0.194D-01-0.476D-01
 Coeff:      0.274D+00 0.799D+00
 Gap=     0.373 Goal=   None    Shift=    0.000
 RMSDP=3.52D-07 MaxDP=7.23D-06 DE=-3.85D-09 OVMax= 1.45D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.90D-07    CP:  1.03D+00  1.18D+00  1.00D+00  1.12D+00  9.35D-01
                    CP:  1.30D+00  1.25D+00  1.15D+00
 E= -555.146765684020     Delta-E=       -0.000000000342 Rises=F Damp=F
 DIIS: error= 1.88D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -555.146765684020     IErMin= 9 ErrMin= 1.88D-07
 ErrMax= 1.88D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.11D-11 BMatP= 1.62D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.424D-05-0.150D-03-0.280D-04 0.196D-02 0.413D-02-0.208D-01
 Coeff-Com: -0.705D-01 0.105D+00 0.980D+00
 Coeff:     -0.424D-05-0.150D-03-0.280D-04 0.196D-02 0.413D-02-0.208D-01
 Coeff:     -0.705D-01 0.105D+00 0.980D+00
 Gap=     0.373 Goal=   None    Shift=    0.000
 RMSDP=1.29D-07 MaxDP=2.56D-06 DE=-3.42D-10 OVMax= 6.51D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  5.95D-08    CP:  1.03D+00  1.18D+00  1.00D+00  1.12D+00  9.35D-01
                    CP:  1.30D+00  1.28D+00  1.26D+00  1.22D+00
 E= -555.146765684072     Delta-E=       -0.000000000052 Rises=F Damp=F
 DIIS: error= 7.20D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -555.146765684072     IErMin=10 ErrMin= 7.20D-08
 ErrMax= 7.20D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.23D-13 BMatP= 1.11D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.416D-05-0.836D-04-0.483D-04 0.529D-03 0.120D-02 0.415D-02
 Coeff-Com: -0.156D-01-0.573D-01-0.310D-01 0.110D+01
 Coeff:      0.416D-05-0.836D-04-0.483D-04 0.529D-03 0.120D-02 0.415D-02
 Coeff:     -0.156D-01-0.573D-01-0.310D-01 0.110D+01
 Gap=     0.373 Goal=   None    Shift=    0.000
 RMSDP=3.99D-08 MaxDP=8.33D-07 DE=-5.15D-11 OVMax= 2.24D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.64D-08    CP:  1.03D+00  1.18D+00  1.00D+00  1.12D+00  9.35D-01
                    CP:  1.30D+00  1.28D+00  1.28D+00  1.35D+00  1.33D+00
 E= -555.146765684065     Delta-E=        0.000000000007 Rises=F Damp=F
 DIIS: error= 2.73D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=10 EnMin= -555.146765684072     IErMin=11 ErrMin= 2.73D-08
 ErrMax= 2.73D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.19D-14 BMatP= 7.23D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.243D-06 0.313D-04 0.106D-04-0.301D-03-0.661D-03 0.158D-02
 Coeff-Com:  0.989D-02-0.309D-02-0.105D+00-0.144D+00 0.124D+01
 Coeff:     -0.243D-06 0.313D-04 0.106D-04-0.301D-03-0.661D-03 0.158D-02
 Coeff:      0.989D-02-0.309D-02-0.105D+00-0.144D+00 0.124D+01
 Gap=     0.373 Goal=   None    Shift=    0.000
 RMSDP=1.67D-08 MaxDP=4.16D-07 DE= 6.93D-12 OVMax= 1.05D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  6.03D-09    CP:  1.03D+00  1.18D+00  1.00D+00  1.12D+00  9.35D-01
                    CP:  1.30D+00  1.28D+00  1.28D+00  1.39D+00  1.48D+00
                    CP:  1.38D+00
 E= -555.146765684067     Delta-E=       -0.000000000003 Rises=F Damp=F
 DIIS: error= 5.69D-09 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=10 EnMin= -555.146765684072     IErMin=12 ErrMin= 5.69D-09
 ErrMax= 5.69D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.87D-15 BMatP= 8.19D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.329D-06 0.382D-05 0.178D-05-0.222D-04-0.348D-05-0.489D-03
 Coeff-Com:  0.262D-03 0.524D-02 0.135D-01-0.816D-01-0.112D+00 0.118D+01
 Coeff:     -0.329D-06 0.382D-05 0.178D-05-0.222D-04-0.348D-05-0.489D-03
 Coeff:      0.262D-03 0.524D-02 0.135D-01-0.816D-01-0.112D+00 0.118D+01
 Gap=     0.373 Goal=   None    Shift=    0.000
 RMSDP=4.10D-09 MaxDP=8.63D-08 DE=-2.73D-12 OVMax= 2.55D-07

 SCF Done:  E(RwB97XD) =  -555.146765684     A.U. after   12 cycles
            NFock= 12  Conv=0.41D-08     -V/T= 2.0055
 KE= 5.520945248682D+02 PE=-1.761937203144D+03 EE= 4.279418389444D+02
 Leave Link  502 at Sat Jul 24 16:53:00 2021, MaxMem= 16106127360 cpu:             183.4 elap:              11.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   171
 NBasis=   171 NAE=    24 NBE=    24 NFC=     0 NFV=     0
 NROrb=    171 NOA=    24 NOB=    24 NVA=   147 NVB=   147

 **** Warning!!: The largest alpha MO coefficient is  0.27342793D+02

 Leave Link  801 at Sat Jul 24 16:53:01 2021, MaxMem= 16106127360 cpu:               0.5 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         3924 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=   16106127360 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.093368
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          13
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 5.88D-14 8.33D-09 XBig12= 1.00D+00 4.33D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 5.88D-14 8.33D-09 XBig12= 2.12D-01 1.15D-01.
     11 vectors produced by pass  2 Test12= 5.88D-14 8.33D-09 XBig12= 2.58D-02 4.10D-02.
     11 vectors produced by pass  3 Test12= 5.88D-14 8.33D-09 XBig12= 1.66D-03 1.53D-02.
     11 vectors produced by pass  4 Test12= 5.88D-14 8.33D-09 XBig12= 7.29D-05 3.28D-03.
     11 vectors produced by pass  5 Test12= 5.88D-14 8.33D-09 XBig12= 1.87D-06 4.37D-04.
     11 vectors produced by pass  6 Test12= 5.88D-14 8.33D-09 XBig12= 3.69D-08 3.66D-05.
     11 vectors produced by pass  7 Test12= 5.88D-14 8.33D-09 XBig12= 4.56D-10 5.38D-06.
     11 vectors produced by pass  8 Test12= 5.88D-14 8.33D-09 XBig12= 5.67D-12 5.70D-07.
      7 vectors produced by pass  9 Test12= 5.88D-14 8.33D-09 XBig12= 6.77D-14 7.53D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 1.78D-14
 Solved reduced A of dimension   106 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.093368:
                1             2             3 
      1  0.760442D+02
      2 -0.157542D-04  0.777620D+02
      3  0.262553D+00  0.125196D-03  0.600113D+02
 Isotropic polarizability for W=    0.093368       71.27 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.093368:
                 1             2             3 
      1  -0.343318D-03 -0.325315D+02  0.154460D-03
      2  -0.758409D-03  0.208360D+02 -0.209826D-02
      3   0.110173D-02  0.116956D+02  0.194380D-02
      4  -0.364826D+02 -0.118632D-02 -0.731745D+01
      5   0.236534D-03 -0.428241D+01  0.109838D-02
      6  -0.497629D+01 -0.256247D-02 -0.578160D+01
 Dipole-magnetic dipole polarizability for W=    0.093368:
                 1             2             3 
      1  -0.248869D+01  0.304888D-03 -0.139550D+01
      2   0.475205D-04  0.311627D+01 -0.575089D-04
      3   0.370757D+01 -0.225163D-03 -0.156101D+01
 DQ contribution to OR G for W=    0.093368:
                 1             2             3 
      1   0.303504D+01 -0.464207D-03  0.174772D+02
      2  -0.820745D-04 -0.234116D+01 -0.334816D-05
      3  -0.395105D+01  0.427912D-03 -0.693880D+00
 Optical Rotation G' tensor for W=    0.093368:
                 1             2             3 
      1   0.153639D+01 -0.156387D-03  0.111275D+01
      2  -0.156387D-03 -0.261014D+01  0.123739D-03
      3   0.111275D+01  0.123739D-03  0.140320D+00
 OR G Eigenvalues:    -2.6101    -0.4752     2.1519  Iso=     0.3111
 Eigenvectors:
   (1)   0.000056   1.000000  -0.000068
   (2)  -0.484043   0.000086   0.875044
   (3)   0.875044  -0.000016   0.484043
 w=    0.093368 a.u., Optical Rotation Beta=      0.3111 au.
 Molar Mass =     88.1672 grams/mole, [Alpha] ( 4880.0 A) =      198.91 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   14706 ScalPx= 1.23D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   14706 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 2.06D+02
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 9.80D-15 2.78D-09 XBig12= 1.00D+00 5.00D-01.
     30 vectors produced by pass  1 Test12= 9.80D-15 2.78D-09 XBig12= 2.90D-02 3.05D-02.
     30 vectors produced by pass  2 Test12= 9.80D-15 2.78D-09 XBig12= 2.13D-03 1.15D-02.
     30 vectors produced by pass  3 Test12= 9.80D-15 2.78D-09 XBig12= 1.94D-05 8.38D-04.
     30 vectors produced by pass  4 Test12= 9.80D-15 2.78D-09 XBig12= 1.84D-07 7.29D-05.
     30 vectors produced by pass  5 Test12= 9.80D-15 2.78D-09 XBig12= 1.07D-09 5.50D-06.
     30 vectors produced by pass  6 Test12= 9.80D-15 2.78D-09 XBig12= 5.81D-12 3.97D-07.
     28 vectors produced by pass  7 Test12= 9.80D-15 2.78D-09 XBig12= 2.91D-14 3.15D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 1.55D-15
 Solved reduced A of dimension   238 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   14706 ScalPx= 2.58D+02
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   14706 ScalPx= 2.58D+02
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   14706 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 2.79D+02
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.760442D+02 -0.157542D-04  0.262553D+00
      2  -0.157542D-04  0.777620D+02  0.125196D-03
      3   0.262553D+00  0.125196D-03  0.600113D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1  -0.248869D+01  0.304888D-03 -0.139550D+01
      2   0.475205D-04  0.311627D+01 -0.575089D-04
      3   0.370757D+01 -0.225163D-03 -0.156101D+01
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1  -0.343318D-03 -0.325315D+02  0.154460D-03
      2  -0.758409D-03  0.208360D+02 -0.209826D-02
      3   0.110173D-02  0.116956D+02  0.194380D-02
      4  -0.364826D+02 -0.118632D-02 -0.731745D+01
      5   0.236534D-03 -0.428241D+01  0.109838D-02
      6  -0.497629D+01 -0.256247D-02 -0.578160D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    39 ND12= 1 LenFil=    1407:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.434165D+01 -0.179014D+01  0.203381D+01 -0.291196D+01  0.744869D+01
      2  -0.179014D+01  0.229876D+01 -0.108715D+01  0.744869D+01 -0.935284D+01
      3   0.203381D+01 -0.108715D+01  0.224449D+01 -0.204684D+00  0.172052D+01
                 6             7             8             9            10 
      1  -0.204684D+00  0.406083D+01 -0.903754D+00  0.148914D+01 -0.434192D+01
      2   0.172052D+01 -0.903754D+00 -0.398235D+00  0.204120D+01 -0.179018D+01
      3  -0.371455D+00  0.148914D+01  0.204120D+01 -0.604847D+01 -0.203388D+01
                11            12            13            14            15 
      1  -0.179018D+01 -0.203388D+01 -0.291218D+01 -0.744889D+01 -0.204847D+00
      2  -0.229881D+01 -0.108721D+01 -0.744889D+01 -0.935292D+01 -0.172075D+01
      3  -0.108721D+01 -0.224447D+01 -0.204847D+00 -0.172075D+01 -0.371439D+00
                16            17            18            19            20 
      1  -0.406085D+01 -0.903651D+00 -0.148909D+01  0.912610D-05  0.884898D+01
      2  -0.903651D+00  0.398061D+00  0.204118D+01  0.884898D+01 -0.366359D-04
      3  -0.148909D+01  0.204118D+01  0.604856D+01  0.547595D-04  0.183516D+01
                21            22            23            24            25 
      1   0.547595D-04  0.791818D+01  0.660931D-04  0.868811D+00  0.745875D-04
      2   0.183516D+01  0.660931D-04  0.236054D+02  0.104321D-03  0.322102D+01
      3  -0.601875D-04  0.868811D+00  0.104321D-03  0.499497D+01 -0.109625D-05
                26            27            28            29            30 
      1   0.322102D+01 -0.109625D-05 -0.250911D+01 -0.136107D+01 -0.290367D+01
      2   0.761503D-04  0.624596D+01 -0.136107D+01 -0.126174D+01 -0.401113D+00
      3   0.624596D+01  0.757483D-04 -0.290367D+01 -0.401113D+00 -0.150860D+01
                31            32            33            34            35 
      1  -0.588607D+00 -0.472508D+01 -0.632978D+00 -0.354659D+01 -0.445606D+00
      2  -0.472508D+01  0.886647D+01 -0.262594D+00 -0.445606D+00 -0.915712D+00
      3  -0.632978D+00 -0.262594D+00 -0.221776D+01 -0.222207D+01 -0.171025D+01
                36            37            38            39            40 
      1  -0.222207D+01  0.250982D+01 -0.136098D+01  0.290351D+01 -0.589076D+00
      2  -0.171025D+01 -0.136098D+01  0.126266D+01 -0.401205D+00  0.472591D+01
      3   0.434071D+01  0.290351D+01 -0.401205D+00  0.150782D+01 -0.633012D+00
                41            42            43            44            45 
      1   0.472591D+01 -0.633012D+00  0.354669D+01 -0.445111D+00  0.222124D+01
      2   0.886593D+01  0.264175D+00 -0.445111D+00  0.917778D+00 -0.170960D+01
      3   0.264175D+00 -0.221705D+01  0.222124D+01 -0.170960D+01 -0.434208D+01
                46            47            48            49            50 
      1   0.183593D+00 -0.976252D+00  0.994248D+00 -0.741167D+00 -0.804172D-01
      2  -0.976252D+00 -0.210458D+00  0.184994D+00 -0.804172D-01 -0.374399D+00
      3   0.994248D+00  0.184994D+00 -0.902723D+00 -0.176708D+00  0.129873D+01
                51            52            53            54            55 
      1  -0.176708D+00  0.150458D+01 -0.448857D+00  0.106185D+00 -0.183590D+00
      2   0.129873D+01 -0.448857D+00  0.290500D+01 -0.315436D+01 -0.976244D+00
      3  -0.135755D+01  0.106185D+00 -0.315436D+01  0.756563D+01 -0.994275D+00
                56            57            58            59            60 
      1  -0.976244D+00 -0.994275D+00 -0.741183D+00  0.804062D-01 -0.176678D+00
      2   0.210496D+00  0.185022D+00  0.804062D-01 -0.374399D+00 -0.129875D+01
      3   0.185022D+00  0.902779D+00 -0.176678D+00 -0.129875D+01 -0.135764D+01
                61            62            63            64            65 
      1  -0.150454D+01 -0.448864D+00 -0.106160D+00  0.759263D+01  0.601794D+00
      2  -0.448864D+00 -0.290504D+01 -0.315437D+01  0.601794D+00  0.103963D+01
      3  -0.106160D+00 -0.315437D+01 -0.756566D+01  0.245023D+01  0.360943D+00
                66            67            68            69            70 
      1   0.245023D+01  0.287278D+01  0.163903D+01  0.816075D+00  0.406163D+01
      2   0.360943D+00  0.163903D+01  0.690121D-01  0.680311D+00  0.105766D+00
      3   0.186489D+01  0.816075D+00  0.680311D+00  0.111425D+01  0.235793D+01
                71            72            73            74            75 
      1   0.105766D+00  0.235793D+01  0.126215D+01 -0.133523D+01  0.450792D+00
      2   0.102444D+01  0.538258D+00 -0.133523D+01  0.812409D+00 -0.322790D-01
      3   0.538258D+00  0.173658D+01  0.450792D+00 -0.322790D-01  0.121288D+00
                76            77            78            79            80 
      1  -0.369528D+01  0.431941D+01  0.107259D+00  0.100947D+01 -0.306733D+00
      2   0.431941D+01 -0.107090D+02  0.183792D+00 -0.306733D+00  0.695198D+00
      3   0.107259D+00  0.183792D+00 -0.102648D+01  0.711072D+00 -0.113742D+01
                81            82            83            84            85 
      1   0.711072D+00  0.987674D+00  0.436394D+00 -0.792999D+00  0.110522D+01
      2  -0.113742D+01  0.436394D+00  0.247200D+00  0.569796D-01  0.560871D+00
      3   0.105409D-01 -0.792999D+00  0.569796D-01  0.939323D+00 -0.343328D+00
                86            87            88            89            90 
      1   0.560871D+00 -0.343328D+00 -0.228756D+01  0.388627D+00  0.212566D+01
      2  -0.301928D+00 -0.756426D+00  0.388627D+00 -0.122296D+01  0.299610D+00
      3  -0.756426D+00  0.136153D+01  0.212566D+01  0.299610D+00 -0.630155D+01
                91            92            93            94            95 
      1  -0.759290D+01  0.602228D+00 -0.244977D+01  0.287376D+01 -0.163941D+01
      2   0.602228D+00 -0.103994D+01  0.361102D+00 -0.163941D+01  0.694458D-01
      3  -0.244977D+01  0.361102D+00 -0.186443D+01  0.816217D+00 -0.680489D+00
                96            97            98            99           100 
      1   0.816217D+00 -0.406094D+01  0.105883D+00 -0.235743D+01 -0.126269D+01
      2  -0.680489D+00  0.105883D+00 -0.102457D+01  0.538338D+00 -0.133559D+01
      3   0.111435D+01 -0.235743D+01  0.538338D+00 -0.173578D+01 -0.450940D+00
               101           102           103           104           105 
      1  -0.133559D+01 -0.450940D+00 -0.369532D+01 -0.431976D+01  0.106933D+00
      2  -0.813049D+00 -0.323944D-01 -0.431976D+01 -0.107086D+02 -0.184847D+00
      3  -0.323944D-01 -0.121321D+00  0.106933D+00 -0.184847D+00 -0.102657D+01
               106           107           108           109           110 
      1  -0.101024D+01 -0.307483D+00 -0.711041D+00 -0.987310D+00  0.436291D+00
      2  -0.307483D+00 -0.696759D+00 -0.113753D+01  0.436291D+00 -0.247130D+00
      3  -0.711041D+00 -0.113753D+01 -0.109358D-01  0.792892D+00  0.571419D-01
               111           112           113           114           115 
      1   0.792892D+00  0.110485D+01 -0.560823D+00 -0.343059D+00  0.228744D+01
      2   0.571419D-01 -0.560823D+00 -0.302186D+00  0.756222D+00  0.388766D+00
      3  -0.938975D+00 -0.343059D+00  0.756222D+00  0.136084D+01 -0.212543D+01
               116           117 
      1   0.388766D+00 -0.212543D+01
      2   0.122273D+01  0.298969D+00
      3   0.298969D+00  0.630238D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.155073D+01  0.386541D+01 -0.716744D+00  0.322812D+00 -0.959948D+01
      2   0.150927D+01 -0.247479D+01  0.302944D+01  0.195315D+01 -0.295553D+01
      3   0.269750D+01 -0.795176D+01  0.262262D+01  0.159339D+01  0.589893D+00
                 6             7             8             9            10 
      1   0.176437D+01 -0.552219D+01  0.805674D+01 -0.211863D+01  0.155040D+01
      2   0.202637D+01 -0.762915D+01  0.838703D+01 -0.523446D+01  0.150884D+01
      3   0.100571D+01  0.652768D+00 -0.454719D+00 -0.234994D+01 -0.269663D+01
                11            12            13            14            15 
      1   0.386522D+01  0.716951D+00  0.322480D+00  0.959889D+01  0.176445D+01
      2   0.247498D+01  0.302965D+01 -0.195286D+01 -0.295499D+01 -0.202631D+01
      3  -0.795178D+01 -0.262246D+01  0.159407D+01 -0.589157D+00  0.100549D+01
                16            17            18            19            20 
      1   0.552239D+01  0.805675D+01  0.211876D+01  0.162120D-03 -0.792424D+01
      2  -0.762944D+01 -0.838686D+01 -0.523493D+01  0.438488D+01  0.675989D-04
      3  -0.652729D+00 -0.455065D+00  0.234962D+01 -0.195923D-03 -0.863769D+01
                21            22            23            24            25 
      1  -0.712950D-04 -0.451152D+01  0.427993D-04 -0.152924D+02  0.231889D-04
      2   0.706170D+01 -0.585518D-04  0.481587D+01  0.000000D+00 -0.952295D+01
      3  -0.898944D-04  0.183669D+02 -0.500666D-03  0.972477D+00 -0.242389D-03
                26            27            28            29            30 
      1   0.697952D+01  0.324967D-04 -0.151003D+01 -0.668126D+00 -0.207971D+01
      2  -0.727475D-04  0.202401D+00 -0.888532D+01 -0.145220D+00 -0.246717D+01
      3   0.369701D+01  0.272342D-05  0.897930D+01  0.124198D+01  0.356792D+01
                31            32            33            34            35 
      1  -0.485590D+00 -0.347471D+00 -0.370581D+01 -0.297621D+01  0.800475D+00
      2  -0.324428D+01  0.956918D+00 -0.595765D+01 -0.908151D+01 -0.287428D+01
      3   0.146315D+02 -0.162300D+02  0.145905D+01  0.410959D+01  0.180170D+01
                36            37            38            39            40 
      1   0.554310D+01  0.150974D+01 -0.667983D+00  0.207855D+01 -0.485057D+00
      2   0.933942D+01 -0.888397D+01  0.145764D+00 -0.246506D+01  0.324369D+01
      3   0.724538D+01 -0.898108D+01  0.124374D+01 -0.356856D+01  0.146341D+02
                41            42            43            44            45 
      1   0.349399D+00 -0.370460D+01  0.297461D+01  0.801121D+00 -0.554396D+01
      2   0.952601D+00  0.595608D+01 -0.907890D+01  0.287307D+01  0.934306D+01
      3   0.162278D+02  0.146340D+01 -0.410932D+01  0.180589D+01 -0.724255D+01
                46            47            48            49            50 
      1  -0.685592D+00  0.186297D+00 -0.367396D+00  0.488150D+00 -0.179186D+00
      2   0.179729D+01  0.131884D+01 -0.178429D+00  0.178881D+01  0.107824D+01
      3   0.500287D+00  0.532161D-01 -0.568616D+00  0.189841D+01  0.114497D+01
                51            52            53            54            55 
      1  -0.209781D+01 -0.969804D+00  0.285543D+01  0.243586D+01  0.685536D+00
      2  -0.222721D+01 -0.285349D+01 -0.337621D+01  0.646437D+01  0.179737D+01
      3  -0.156046D+01 -0.119445D+01 -0.199393D+01  0.227290D+01 -0.500284D+00
                56            57            58            59            60 
      1   0.186315D+00  0.367536D+00  0.488190D+00  0.179299D+00 -0.209780D+01
      2  -0.131884D+01 -0.178477D+00 -0.178887D+01  0.107822D+01  0.222731D+01
      3   0.533353D-01  0.568723D+00  0.189852D+01 -0.114496D+01 -0.156046D+01
                61            62            63            64            65 
      1   0.969784D+00  0.285540D+01 -0.243587D+01  0.195556D+01  0.678616D+00
      2  -0.285341D+01  0.337621D+01  0.646429D+01  0.477508D+01  0.889030D+00
      3   0.119441D+01 -0.199404D+01 -0.227286D+01 -0.962390D+01 -0.525194D+01
                66            67            68            69            70 
      1   0.130749D+01  0.842238D+00  0.496566D+00  0.656933D-01  0.113880D+01
      2   0.653281D+01  0.177721D+01  0.124283D+01  0.345200D+01  0.352507D+01
      3  -0.349584D+01 -0.485072D+01 -0.239760D+01 -0.249446D+01 -0.447994D+01
                71            72            73            74            75 
      1   0.178950D+01  0.920464D+00 -0.687386D-01 -0.191207D+00  0.839418D+00
      2   0.147188D+01  0.436721D+01  0.531261D+00 -0.195789D+00  0.156898D+01
      3  -0.332454D+01 -0.358597D+01  0.582480D+00 -0.205552D+01 -0.189254D+00
                76            77            78            79            80 
      1   0.764152D+00  0.306994D+00 -0.415213D+01  0.103997D+01 -0.588337D+00
      2   0.146261D+01 -0.105349D+01 -0.319297D+01  0.577118D+00 -0.188646D+01
      3  -0.283428D+01  0.207575D+02 -0.787476D+00 -0.560760D+00 -0.946978D+00
                81            82            83            84            85 
      1  -0.522478D+00 -0.894946D+00  0.910407D-01  0.100270D+01  0.257964D+00
      2  -0.564581D+00 -0.185390D+01  0.399591D+00  0.298632D+01  0.741932D+00
      3   0.913335D+00 -0.143660D+01 -0.115545D+01  0.820397D+00 -0.609171D+00
                86            87            88            89            90 
      1  -0.143708D+01  0.768830D+00  0.200440D+01  0.303490D+01 -0.649486D+01
      2  -0.167691D+01  0.319072D+01  0.121064D+01  0.124349D+01 -0.145391D+02
      3  -0.688559D+00  0.195739D+01  0.163366D+01  0.307001D+01 -0.372185D+01
                91            92            93            94            95 
      1  -0.195480D+01  0.678601D+00 -0.130685D+01  0.842187D+00 -0.496652D+00
      2   0.477391D+01 -0.889489D+00  0.653167D+01 -0.177739D+01  0.124328D+01
      3   0.962561D+01 -0.525294D+01  0.349580D+01 -0.485276D+01  0.239922D+01
                96            97            98            99           100 
      1   0.655046D-01 -0.113818D+01  0.178934D+01 -0.919722D+00  0.687057D-01
      2  -0.345245D+01  0.352400D+01 -0.147198D+01  0.436501D+01  0.531397D+00
      3  -0.249531D+01  0.447983D+01 -0.332472D+01  0.358559D+01 -0.582442D+00
               101           102           103           104           105 
      1  -0.191256D+00 -0.839532D+00  0.763686D+00 -0.307821D+00 -0.415229D+01
      2   0.195894D+00  0.156900D+01 -0.146209D+01 -0.105085D+01  0.319321D+01
      3  -0.205675D+01  0.189158D+00 -0.283518D+01 -0.207564D+02 -0.789695D+00
               106           107           108           109           110 
      1  -0.103965D+01 -0.588501D+00  0.521602D+00  0.894722D+00  0.913210D-01
      2   0.576452D+00  0.188633D+01 -0.563632D+00 -0.185393D+01 -0.399981D+00
      3   0.560520D+00 -0.949803D+00 -0.913753D+00  0.143596D+01 -0.115531D+01
               111           112           113           114           115 
      1  -0.100233D+01  0.258147D+00  0.143644D+01  0.768081D+00 -0.200395D+01
      2   0.298544D+01 -0.741857D+00 -0.167619D+01 -0.318908D+01  0.120976D+01
      3  -0.819861D+00 -0.609048D+00  0.687765D+00  0.195637D+01 -0.163333D+01
               116           117 
      1   0.303455D+01  0.649576D+01
      2  -0.124214D+01 -0.145411D+02
      3   0.306918D+01  0.372009D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.164985D+01 -0.602791D+01  0.283540D+01 -0.266583D+01  0.109389D+02
      2  -0.296475D+01  0.828789D+01 -0.504686D+01  0.520656D+01 -0.731968D+01
      3   0.131490D+01 -0.225998D+01  0.221146D+01 -0.254073D+01 -0.361917D+01
      4  -0.347561D+01  0.971331D+00 -0.176156D+01 -0.106557D+01 -0.291566D+01
      5   0.454084D+01 -0.181285D+01 -0.333356D-01  0.372875D-01 -0.290501D+01
      6  -0.141326D+01 -0.184708D+01  0.266764D+01  0.337373D+00  0.372322D+01
                 6             7             8             9            10 
      1  -0.616006D+01  0.191332D+01 -0.443838D+01  0.815129D+01  0.165163D+01
      2   0.459619D+01 -0.262939D+01  0.230283D+01 -0.515412D+00 -0.296655D+01
      3   0.156387D+01  0.716068D+00  0.213555D+01 -0.763588D+01  0.131492D+01
      4   0.726952D+00 -0.455578D+00 -0.111870D+01 -0.293990D+01  0.347563D+01
      5   0.684756D+01  0.476738D+01  0.185550D+00 -0.610992D+01  0.454067D+01
      6  -0.918300D+01 -0.231417D+01 -0.575892D+00  0.696009D+01  0.141357D+01
                11            12            13            14            15 
      1   0.602898D+01  0.283586D+01  0.266669D+01  0.109411D+02  0.616045D+01
      2  -0.828825D+01 -0.504744D+01 -0.520672D+01 -0.732110D+01 -0.459627D+01
      3   0.225928D+01  0.221158D+01  0.254003D+01 -0.362002D+01 -0.156418D+01
      4   0.971542D+00  0.176138D+01 -0.106537D+01  0.291615D+01  0.727547D+00
      5   0.181369D+01 -0.330033D-01 -0.364084D-01 -0.290314D+01 -0.684730D+01
      6  -0.184672D+01 -0.266764D+01  0.337919D+00 -0.372292D+01 -0.918328D+01
                16            17            18            19            20 
      1   0.191321D+01  0.443791D+01  0.815029D+01  0.572514D+01 -0.277411D-03
      2  -0.262938D+01 -0.230240D+01 -0.514891D+00  0.641897D+01  0.156657D-03
      3   0.716178D+00 -0.213551D+01 -0.763540D+01 -0.121441D+02  0.120754D-03
      4   0.455632D+00 -0.111819D+01  0.294043D+01 -0.132323D-04  0.325482D+02
      5   0.476622D+01 -0.185376D+00 -0.611036D+01 -0.248799D+01 -0.215879D-03
      6   0.231427D+01 -0.575820D+00 -0.696065D+01 -0.133807D-03  0.742889D+01
                21            22            23            24            25 
      1  -0.659244D+01 -0.530377D-03 -0.532940D+02 -0.310418D-03 -0.281695D+01
      2   0.792450D+01  0.323701D-03  0.793897D+02  0.371363D-03  0.732358D+01
      3  -0.133205D+01  0.206676D-03 -0.260957D+02 -0.609444D-04 -0.450663D+01
      4   0.770712D-04  0.237141D+02 -0.804703D-04 -0.204802D+00 -0.779586D-04
      5   0.169692D+02 -0.488486D-03  0.413926D+01 -0.263733D-04  0.144845D+02
      6  -0.725396D-04  0.176451D+01 -0.133768D-03  0.318381D+02 -0.789901D-04
                26            27            28            29            30 
      1  -0.261337D-03 -0.213935D+02 -0.121026D+02 -0.107980D+02 -0.147415D+02
      2   0.270326D-03  0.127113D+01  0.964434D+01  0.903484D+01  0.856868D+01
      3  -0.898925D-05  0.201224D+02  0.245826D+01  0.176319D+01  0.617285D+01
      4   0.312188D+01 -0.201415D-03 -0.972562D+01 -0.187343D+01  0.250587D-01
      5  -0.329029D-03 -0.226393D+01 -0.178012D+02 -0.161380D+01 -0.833473D+01
      6   0.324423D+02  0.123670D-04  0.321038D+01 -0.457159D+00  0.200658D+01
                31            32            33            34            35 
      1  -0.165011D+02  0.409266D+01 -0.583456D+01 -0.181386D+02 -0.245068D+01
      2   0.170689D+02 -0.192932D+02  0.256276D+01  0.813067D+01  0.161564D+01
      3  -0.567784D+00  0.152006D+02  0.327180D+01  0.100079D+02  0.835037D+00
      4  -0.109094D+02  0.293256D+02 -0.241443D+01  0.235407D+00 -0.301064D+01
      5  -0.318284D+01 -0.277125D+01 -0.110720D+02 -0.116110D+02 -0.737231D+01
      6   0.130661D-02  0.129888D+01  0.324824D+01  0.145407D+01  0.383863D+01
                36            37            38            39            40 
      1  -0.850228D+01 -0.121060D+02  0.107997D+02 -0.147406D+02  0.165047D+02
      2   0.131161D+02  0.964592D+01 -0.903728D+01  0.856839D+01 -0.170718D+02
      3  -0.461378D+01  0.246010D+01 -0.176244D+01  0.617223D+01  0.567112D+00
      4  -0.641553D+01  0.972750D+01 -0.187675D+01 -0.233979D-01 -0.109140D+02
      5   0.174127D+02 -0.177995D+02  0.161420D+01 -0.833022D+01  0.318282D+01
      6  -0.626056D+01 -0.320989D+01 -0.457574D+00 -0.200563D+01 -0.116985D-02
                41            42            43            44            45 
      1   0.408632D+01  0.583793D+01 -0.181372D+02  0.245343D+01 -0.849516D+01
      2  -0.192893D+02 -0.256829D+01  0.812876D+01 -0.162201D+01  0.131121D+02
      3   0.152030D+02 -0.326964D+01  0.100084D+02 -0.831425D+00 -0.461693D+01
      4  -0.293255D+02 -0.242104D+01 -0.234904D+00 -0.301788D+01  0.641286D+01
      5  -0.277907D+01  0.110683D+02 -0.116053D+02  0.736922D+01  0.174186D+02
      6  -0.130483D+01  0.324742D+01 -0.145373D+01  0.383750D+01  0.626417D+01
                46            47            48            49            50 
      1   0.864439D+00 -0.149937D+01  0.290150D+01 -0.111760D+01 -0.622298D+01
      2  -0.272339D+01  0.297319D+00 -0.331597D+00  0.115291D+01  0.195714D+01
      3   0.185895D+01  0.120205D+01 -0.256990D+01 -0.353134D-01  0.426585D+01
      4  -0.478555D+00  0.324330D+01 -0.210637D+01  0.309313D+01 -0.287656D+00
      5   0.246978D+00 -0.185790D+01  0.511922D+01 -0.162315D+01  0.202028D+01
      6  -0.190694D+01 -0.182494D+01  0.113302D+01 -0.486089D+00 -0.565542D+01
                51            52            53            54            55 
      1   0.469471D+01  0.167992D+01  0.543406D+01 -0.169293D+02  0.864630D+00
      2  -0.488202D+00 -0.155008D+01  0.285858D+01 -0.100304D+02 -0.272334D+01
      3  -0.420651D+01 -0.129839D+00 -0.829264D+01  0.269597D+02  0.185871D+01
      4   0.407237D+00 -0.297161D+01  0.959073D+00  0.568007D+00  0.478421D+00
      5  -0.239559D+01  0.339737D+01 -0.276258D+01  0.751404D+01  0.247099D+00
      6   0.103941D+02 -0.175104D+00  0.849120D+01 -0.140923D+02  0.190709D+01
                56            57            58            59            60 
      1   0.149945D+01  0.290166D+01  0.111760D+01 -0.622309D+01 -0.469484D+01
      2  -0.297422D+00 -0.331574D+00 -0.115326D+01  0.195695D+01  0.488236D+00
      3  -0.120203D+01 -0.257009D+01  0.356563D-01  0.426614D+01  0.420661D+01
      4   0.324329D+01  0.210649D+01  0.309290D+01  0.287352D+00  0.407162D+00
      5   0.185798D+01  0.511910D+01  0.162288D+01  0.202010D+01  0.239576D+01
      6  -0.182502D+01 -0.113320D+01 -0.486107D+00  0.565554D+01  0.103943D+02
                61            62            63            64            65 
      1   0.167979D+01 -0.543390D+01 -0.169290D+02  0.461976D+02  0.627878D+01
      2  -0.154986D+01 -0.285867D+01 -0.100305D+02 -0.276382D+02 -0.514260D+01
      3  -0.129935D+00  0.829257D+01  0.269596D+02 -0.185594D+02 -0.113619D+01
      4   0.297176D+01  0.959164D+00 -0.568203D+00  0.134893D+01  0.722126D+01
      5   0.339748D+01  0.276252D+01  0.751382D+01  0.168604D+02  0.219987D+01
      6   0.174953D+00  0.849120D+01  0.140926D+02 -0.181435D+01  0.292205D+00
                66            67            68            69            70 
      1   0.139132D+02  0.166428D+02  0.491602D+01  0.439379D+01  0.198959D+02
      2  -0.913767D+01 -0.108795D+02 -0.886971D+00 -0.349294D+01 -0.134201D+02
      3  -0.477550D+01 -0.576332D+01 -0.402905D+01 -0.900843D+00 -0.647578D+01
      4   0.993296D+00  0.915323D+01  0.279684D+01  0.401569D+01 -0.203767D+00
      5   0.134015D+02  0.565231D+01  0.386880D+01  0.671121D+01  0.158846D+02
      6  -0.228639D+01  0.598942D+00  0.904122D+00  0.686930D+00 -0.146267D+01
                71            72            73            74            75 
      1   0.153404D+01  0.937175D+01  0.569428D+01 -0.476913D+01  0.204381D+01
      2  -0.218756D+01 -0.101879D+02  0.748662D+00 -0.680184D+00 -0.104443D+01
      3   0.653516D+00  0.816193D+00 -0.644295D+01  0.544931D+01 -0.999378D+00
      4   0.517477D+01  0.214692D+01 -0.824603D+01  0.113385D+02  0.418729D-01
      5   0.289372D+01  0.116799D+02  0.174675D+01  0.137203D+00  0.261764D+01
      6   0.130445D+01 -0.608328D+00 -0.233819D+00 -0.422171D-01 -0.914353D+00
                76            77            78            79            80 
      1  -0.636944D+01 -0.122363D+02  0.111767D+01  0.349160D+01  0.219157D+00
      2  -0.597862D+01  0.367169D+02 -0.157954D+01 -0.175624D+01 -0.100298D+01
      3   0.123481D+02 -0.244806D+02  0.461873D+00 -0.173536D+01  0.783819D+00
      4   0.232660D+02 -0.442740D+02  0.900890D+00 -0.100616D+01  0.194540D+01
      5   0.821253D+00  0.776038D+00 -0.551485D+01  0.464811D+01 -0.491412D+01
      6  -0.609289D+00  0.532815D+00  0.704284D+01 -0.278712D+01  0.688420D+01
                81            82            83            84            85 
      1  -0.599228D+00  0.552965D+01  0.183458D+01 -0.348122D+01  0.537517D+01
      2   0.156610D+01 -0.562391D+01 -0.143785D+01  0.294218D+01 -0.428783D+01
      3  -0.966871D+00  0.942633D-01 -0.396731D+00  0.539036D+00 -0.108735D+01
      4  -0.411488D+01  0.137810D+01  0.170595D+01  0.118879D+00  0.262782D+01
      5  -0.489240D+00 -0.421835D+01 -0.387780D+00  0.875062D+01 -0.209344D+01
      6  -0.309161D+00  0.355871D+00  0.164746D+00 -0.104740D+01 -0.593407D+00
                86            87            88            89            90 
      1  -0.762702D+00  0.103871D+00 -0.752137D+01  0.121778D+00 -0.799273D+00
      2   0.973051D+00  0.266389D+01  0.747598D+01  0.215435D+01 -0.145877D+02
      3  -0.210348D+00 -0.276776D+01  0.453874D-01 -0.227613D+01  0.153870D+02
      4  -0.384045D+00 -0.340281D+01  0.248210D+01 -0.551092D+01  0.233847D+01
      5  -0.305898D+01  0.635400D+01  0.136936D+02  0.186654D+01 -0.287442D+02
      6  -0.764307D+00  0.189755D+01 -0.232407D+01  0.271722D+01  0.761108D+01
                91            92            93            94            95 
      1   0.461995D+02 -0.628203D+01  0.139108D+02 -0.166484D+02  0.491832D+01
      2  -0.276392D+02  0.514455D+01 -0.913608D+01  0.108827D+02 -0.888082D+00
      3  -0.185603D+02  0.113748D+01 -0.477470D+01  0.576565D+01 -0.403024D+01
      4  -0.135340D+01  0.722214D+01 -0.994679D+00  0.915531D+01 -0.279945D+01
      5   0.168566D+02 -0.220084D+01  0.133986D+02 -0.565289D+01  0.386954D+01
      6   0.181322D+01  0.291848D+00  0.228543D+01  0.598885D+00 -0.903683D+00
                96            97            98            99           100 
      1  -0.439486D+01  0.198926D+02 -0.153486D+01  0.936964D+01  0.569639D+01
      2   0.349387D+01 -0.134176D+02  0.218845D+01 -0.101857D+02  0.748007D+00
      3   0.900992D+00 -0.647503D+01 -0.653589D+00  0.816050D+00 -0.644439D+01
      4   0.401637D+01  0.201955D+00  0.517474D+01 -0.214802D+01  0.824821D+01
      5  -0.671197D+01  0.158812D+02 -0.289437D+01  0.116751D+02  0.174761D+01
      6   0.686693D+00  0.146135D+01  0.130429D+01  0.606571D+00  0.234838D+00
               101           102           103           104           105 
      1   0.476936D+01  0.204440D+01  0.636951D+01 -0.122327D+02 -0.111936D+01
      2   0.681394D+00 -0.104438D+01  0.597950D+01  0.367140D+02  0.158259D+01
      3  -0.545075D+01 -0.100001D+01 -0.123490D+02 -0.244813D+02 -0.463226D+00
      4   0.113409D+02 -0.406748D-01  0.232682D+02  0.442747D+02  0.905337D+00
      5  -0.136012D+00  0.261761D+01 -0.819065D+00  0.781006D+00  0.551555D+01
      6  -0.417012D-01  0.914724D+00 -0.607131D+00 -0.527016D+00  0.704284D+01
               106           107           108           109           110 
      1   0.349309D+01 -0.220520D+00 -0.599809D+00  0.552765D+01 -0.183414D+01
      2  -0.175637D+01  0.100645D+01  0.156653D+01 -0.562266D+01  0.143744D+01
      3  -0.173673D+01 -0.785931D+00 -0.966725D+00  0.950161D-01  0.396697D+00
      4   0.100920D+01  0.195146D+01  0.411576D+01 -0.137759D+01  0.170575D+01
      5   0.464775D+01  0.491497D+01 -0.487288D+00 -0.421724D+01  0.386577D+00
      6   0.278740D+01  0.688436D+01  0.311600D+00 -0.356572D+00  0.164729D+00
               111           112           113           114           115 
      1  -0.348070D+01 -0.537361D+01 -0.762828D+00 -0.104503D+00 -0.752032D+01
      2   0.294125D+01  0.428679D+01  0.973206D+00 -0.266249D+01  0.747494D+01
      3   0.539446D+00  0.108681D+01 -0.210378D+00  0.276700D+01  0.453791D-01
      4  -0.120246D+00  0.262778D+01  0.385744D+00 -0.340156D+01 -0.248396D+01
      5   0.874919D+01  0.209173D+01 -0.305758D+01 -0.635063D+01  0.136923D+02
      6   0.104729D+01 -0.593188D+00  0.763861D+00  0.189854D+01  0.232487D+01
               116           117 
      1  -0.121862D+00 -0.802970D+00
      2  -0.215305D+01 -0.145869D+02
      3   0.227491D+01  0.153898D+02
      4  -0.551016D+01 -0.233572D+01
      5  -0.186344D+01 -0.287467D+02
      6   0.271838D+01 -0.761501D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Sat Jul 24 16:54:31 2021, MaxMem= 16106127360 cpu:            1431.8 elap:              89.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -89.00233 -10.34329 -10.34303 -10.30175 -10.30174
 Alpha  occ. eigenvalues --   -8.04900  -6.00391  -6.00029  -5.99328  -0.97335
 Alpha  occ. eigenvalues --   -0.83877  -0.79938  -0.68361  -0.67090  -0.55939
 Alpha  occ. eigenvalues --   -0.55018  -0.51179  -0.50575  -0.47489  -0.47329
 Alpha  occ. eigenvalues --   -0.44964  -0.38092  -0.37579  -0.30547
 Alpha virt. eigenvalues --    0.06720   0.08915   0.09222   0.10483   0.11013
 Alpha virt. eigenvalues --    0.14250   0.14439   0.15342   0.15947   0.16237
 Alpha virt. eigenvalues --    0.18035   0.18927   0.19592   0.19723   0.21974
 Alpha virt. eigenvalues --    0.21988   0.24067   0.24382   0.24862   0.27125
 Alpha virt. eigenvalues --    0.27603   0.28304   0.28885   0.33191   0.33724
 Alpha virt. eigenvalues --    0.34324   0.35243   0.36082   0.36790   0.37554
 Alpha virt. eigenvalues --    0.39146   0.39359   0.39748   0.40409   0.40708
 Alpha virt. eigenvalues --    0.42289   0.42397   0.42895   0.43094   0.43767
 Alpha virt. eigenvalues --    0.44501   0.45815   0.46352   0.46633   0.47401
 Alpha virt. eigenvalues --    0.48889   0.49743   0.50003   0.51452   0.51904
 Alpha virt. eigenvalues --    0.54079   0.54550   0.55314   0.55983   0.56455
 Alpha virt. eigenvalues --    0.57145   0.57779   0.59256   0.59402   0.60761
 Alpha virt. eigenvalues --    0.61044   0.61376   0.62188   0.64932   0.66173
 Alpha virt. eigenvalues --    0.68263   0.68290   0.70238   0.75855   0.76174
 Alpha virt. eigenvalues --    0.85598   0.93008   0.93089   0.95166   0.95197
 Alpha virt. eigenvalues --    0.98074   0.99458   1.00841   1.01272   1.02839
 Alpha virt. eigenvalues --    1.03007   1.05713   1.08878   1.09609   1.10897
 Alpha virt. eigenvalues --    1.11298   1.12534   1.14462   1.15185   1.19760
 Alpha virt. eigenvalues --    1.21407   1.25743   1.27644   1.29631   1.32774
 Alpha virt. eigenvalues --    1.33824   1.35722   1.38993   1.45366   1.45374
 Alpha virt. eigenvalues --    1.47676   1.50319   1.52807   1.66562   1.70277
 Alpha virt. eigenvalues --    1.70388   1.75104   1.77363   1.77454   1.79734
 Alpha virt. eigenvalues --    1.84266   1.84888   1.91643   1.99084   2.01169
 Alpha virt. eigenvalues --    2.04558   2.07200   2.09392   2.09748   2.12170
 Alpha virt. eigenvalues --    2.14221   2.16454   2.17853   2.24014   2.24192
 Alpha virt. eigenvalues --    2.32931   2.34261   2.37419   2.37864   2.44072
 Alpha virt. eigenvalues --    2.52534   2.55198   2.60099   2.65932   2.66798
 Alpha virt. eigenvalues --    2.70232   2.74301   2.77219   2.93861   2.98426
 Alpha virt. eigenvalues --    3.01651   3.14413   3.14992   3.18764   3.19561
 Alpha virt. eigenvalues --    3.21789   3.26455
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    6.608476  -0.938664   0.092098   0.387168  -0.096794   0.295584
     2  C   -0.938664   6.608438   0.092133  -0.096779   0.387189  -0.230358
     3  S    0.092098   0.092133  16.045356  -0.037735  -0.037735   0.037473
     4  C    0.387168  -0.096779  -0.037735   4.402477   0.005532  -0.103454
     5  C   -0.096794   0.387189  -0.037735   0.005532   4.402480  -0.060162
     6  H    0.295584  -0.230358   0.037473  -0.103454  -0.060162   1.384958
     7  H   -0.230314   0.295557   0.037465  -0.060175  -0.103469   0.105802
     8  H    0.099566   0.044969  -0.042123   0.239490  -0.000456  -0.020580
     9  H    0.015864  -0.000845   0.012974   0.296861   0.006109  -0.040915
    10  H    0.138480  -0.080549   0.037114   0.335084   0.002682   0.017362
    11  H    0.044959   0.099578  -0.042123  -0.000456   0.239494  -0.003345
    12  H   -0.000840   0.015878   0.012970   0.006109   0.296858  -0.005358
    13  H   -0.080549   0.138476   0.037120   0.002683   0.335079  -0.024688
               7          8          9         10         11         12
     1  C   -0.230314   0.099566   0.015864   0.138480   0.044959  -0.000840
     2  C    0.295557   0.044969  -0.000845  -0.080549   0.099578   0.015878
     3  S    0.037465  -0.042123   0.012974   0.037114  -0.042123   0.012970
     4  C   -0.060175   0.239490   0.296861   0.335084  -0.000456   0.006109
     5  C   -0.103469  -0.000456   0.006109   0.002682   0.239494   0.296858
     6  H    0.105802  -0.020580  -0.040915   0.017362  -0.003345  -0.005358
     7  H    1.385018  -0.003345  -0.005357  -0.024693  -0.020572  -0.040944
     8  H   -0.003345   0.595270   0.013524  -0.009973  -0.000013  -0.000136
     9  H   -0.005357   0.013524   0.565382   0.023564  -0.000136  -0.000421
    10  H   -0.024693  -0.009973   0.023564   0.570155   0.000320   0.000619
    11  H   -0.020572  -0.000013  -0.000136   0.000320   0.595238   0.013527
    12  H   -0.040944  -0.000136  -0.000421   0.000619   0.013527   0.565403
    13  H    0.017365   0.000320   0.000619  -0.000566  -0.009960   0.023557
              13
     1  C   -0.080549
     2  C    0.138476
     3  S    0.037120
     4  C    0.002683
     5  C    0.335079
     6  H   -0.024688
     7  H    0.017365
     8  H    0.000320
     9  H    0.000619
    10  H   -0.000566
    11  H   -0.009960
    12  H    0.023557
    13  H    0.570157
 Mulliken charges:
               1
     1  C   -0.335035
     2  C   -0.335022
     3  S   -0.244989
     4  C    0.623195
     5  C    0.623191
     6  H   -0.352320
     7  H   -0.352337
     8  H    0.083486
     9  H    0.112777
    10  H   -0.009601
    11  H    0.083488
    12  H    0.112779
    13  H   -0.009612
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -0.687355
     2  C   -0.687359
     3  S   -0.244989
     4  C    0.809858
     5  C    0.809846
 Electronic spatial extent (au):  <R**2>=            577.5499
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.0000    Y=             -2.3774    Z=             -0.0000  Tot=              2.3774
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -37.5585   YY=            -41.3126   ZZ=            -38.9396
   XY=              0.0000   XZ=              1.1823   YZ=              0.0000
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              1.7118   YY=             -2.0424   ZZ=              0.3306
   XY=              0.0000   XZ=              1.1823   YZ=              0.0000
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=              0.0000  YYY=             -3.1650  ZZZ=              0.0002  XYY=             -0.0002
  XXY=             -1.3804  XXZ=              0.0000  XZZ=              0.0002  YZZ=             -2.7848
  YYZ=             -0.0003  XYZ=              1.3794
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -438.5657 YYYY=           -263.4509 ZZZZ=            -86.8199 XXXY=             -0.0003
 XXXZ=              6.1825 YYYX=              0.0003 YYYZ=              0.0009 ZZZX=              0.4453
 ZZZY=             -0.0003 XXYY=           -121.1850 XXZZ=            -87.9032 YYZZ=            -64.7973
 XXYZ=             -0.0003 YYXZ=              3.6602 ZZXY=              0.0003
 N-N= 2.267540736472D+02 E-N=-1.761937202833D+03  KE= 5.520945248682D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Sat Jul 24 16:54:31 2021, MaxMem= 16106127360 cpu:               2.3 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 2.67430693D-06-8.57372714D-01 9.30935562D-08
 Polarizability= 7.13328262D+01-2.51586110D-05 7.29207391D+01
                 1.90754977D+00 1.52007075D-04 5.43334485D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 2     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 3      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 4      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 5     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 6      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.1322   -0.1313       -0.0000   -0.0000
 2      0.1322    0.1313       -0.0001   -0.0001        0.8511    0.8589
 3      0.0000    0.0000        8.0199    8.0164        0.0001    0.0001
 4      0.0001    0.0001       -0.0000    0.0000        0.0000    0.0000
 5     -8.8710   -8.8753       -0.0000   -0.0000       -0.1320   -0.1313
 6     -0.0001   -0.0001        0.1320    0.1313        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.3938    0.3938       -0.0000   -0.0000
 2      0.0002    0.0002       -0.0000    0.0000       -0.0000   -0.0000
 3      0.0002    0.0002        0.3938    0.3938       -0.0000    0.0000
 4      0.3938    0.3938       -0.0002   -0.0002        2.5767    2.5767
 5      0.0000    0.0000       24.0492   24.0492        0.0002    0.0002
 6    -26.6259  -26.6259       -0.0000   -0.0000       -0.3938   -0.3938
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0001    0.0000        0.6891    0.5251        0.0000    0.0000
 2     -1.2096   -0.5251        0.0003    0.0003       -4.1427   -3.4356
 3     -0.0000   -0.0000      -32.1742  -32.0657       -0.0003   -0.0003
 4     -0.0003   -0.0003        0.3644    0.0000        0.0000   -0.0000
 5     34.8255   35.5013        0.0000    0.0000        0.2425    0.5251
 6      0.0003    0.0003       -0.5344   -0.5251        0.0000    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0001    0.0000        2.0065    2.3121       -0.0003   -0.0004
 2     -1.8398   -2.3121       -0.0002   -0.0003      -11.1654  -11.2099
 3      0.0005    0.0004        1.9580    1.8554        0.0002    0.0003
 4      0.0002    0.0003        0.1214    0.0000        0.0004    0.0004
 5      9.2432    9.3546       -0.0002   -0.0004        1.7342    2.3121
 6     -0.0001   -0.0003       -2.0872   -2.3121       -0.0001    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0019   -0.0019       30.6911   30.7010        0.0027    0.0028
 2     -0.0025   -0.0023       43.9435   44.2271        0.0028    0.0028
 3     -0.0026   -0.0023       30.4977   30.7010        0.0021    0.0023
 4    -13.1716  -13.5261        0.0005    0.0004       10.8460   10.7524
 5     -0.0004   -0.0005       -7.1648   -7.4578       -0.0005   -0.0004
 6     -4.2641   -3.2946        0.0007    0.0005       12.0620   13.5261
 Full mass-weighted force constant matrix:
 Low frequencies ---   -7.0016   -1.1227   -0.0009    0.0003    0.0019    3.6006
 Low frequencies ---  209.1279  224.7636  237.1799
 Diagonal vibrational polarizability:
        1.3601567       3.4058184       0.7297063
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   20491.80
                      1                      2                      3
                      A                      A                      A
 Frequencies --    209.1277               224.7631               237.1799
 Red. masses --      1.3772                 1.0856                 1.5655
 Frc consts  --      0.0355                 0.0323                 0.0519
 IR Inten    --      0.3954                 0.0473                 0.7830
 RamAct Fr= 1--      0.8384                 0.0596                 0.7608
  Dep-P Fr= 1--      0.7473                 0.7500                 0.5191
  Dep-U Fr= 1--      0.8553                 0.8571                 0.6834
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0034
 Beta2  Fr= 1--      0.1195                 0.0085                 0.0867
 AlphaG Fr= 1--      0.0002                 0.0000                -0.0161
 Gamma2 Fr= 1--      0.5972                -0.0837                -0.2795
 Delta2 Fr= 1--     -0.3927                 0.0595                 0.1594
 Raman1 Fr= 1--       3.354                  0.239                  3.043
 ROA1   Fr= 1--      44.767                 -6.133                -21.733
 CID1   Fr= 1--      13.349                -25.712                 -7.141
 Raman2 Fr= 1--       1.434                  0.102                  1.040
 ROA2   Fr= 1--      17.474                 -2.485                 -7.983
 CID2   Fr= 1--      12.183                -24.312                 -7.677
 Raman3 Fr= 1--       2.869                  0.204                  2.080
 ROA3   Fr= 1--      44.767                 -6.133                -21.733
 CID3   Fr= 1--      15.606                -29.997                -10.450
 RC180  Fr= 1--       0.711                  0.714                  0.367
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.05  -0.00    -0.00  -0.00   0.01    -0.00  -0.06   0.01
     2   6    -0.01  -0.05   0.00    -0.00   0.00   0.01     0.00  -0.06  -0.01
     3  16     0.00  -0.05   0.00     0.02   0.00   0.03    -0.00  -0.07   0.00
     4   6     0.05   0.09   0.01    -0.02   0.00  -0.04     0.05   0.11  -0.01
     5   6    -0.05   0.09  -0.01    -0.02  -0.00  -0.04    -0.05   0.11   0.01
     6   1     0.02  -0.05   0.00     0.03  -0.00   0.02     0.01  -0.10  -0.00
     7   1    -0.02  -0.05  -0.00     0.03   0.00   0.02    -0.01  -0.10   0.00
     8   1    -0.00   0.44  -0.18     0.01   0.31  -0.32    -0.02  -0.05   0.22
     9   1     0.32   0.13   0.30     0.14   0.04   0.31     0.08   0.09  -0.38
    10   1    -0.10  -0.17  -0.08    -0.22  -0.33  -0.16     0.15   0.48   0.10
    11   1     0.00   0.44   0.18     0.01  -0.31  -0.32     0.02  -0.05  -0.22
    12   1    -0.32   0.13  -0.30     0.14  -0.04   0.31    -0.08   0.09   0.38
    13   1     0.09  -0.17   0.08    -0.22   0.33  -0.16    -0.15   0.48  -0.10
                      4                      5                      6
                      A                      A                      A
 Frequencies --    298.6248               336.0273               444.9399
 Red. masses --      2.2151                 3.9331                 2.8344
 Frc consts  --      0.1164                 0.2617                 0.3306
 IR Inten    --      0.1657                 1.7124                 0.2554
 RamAct Fr= 1--      0.0420                 3.9644                 5.4407
  Dep-P Fr= 1--      0.7500                 0.7500                 0.0466
  Dep-U Fr= 1--      0.8571                 0.8571                 0.0890
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.1084
 Beta2  Fr= 1--      0.0060                 0.5663                 0.0807
 AlphaG Fr= 1--     -0.0000                 0.0000                 0.0231
 Gamma2 Fr= 1--     -0.1547                -0.4590                 0.0683
 Delta2 Fr= 1--     -0.0100                -0.0280                -0.0033
 Raman1 Fr= 1--       0.168                 15.858                 21.763
 ROA1   Fr= 1--     -15.171                -44.960                  6.452
 CID1   Fr= 1--     -90.390                 -2.835                  0.296
 Raman2 Fr= 1--       0.072                  6.796                  0.968
 ROA2   Fr= 1--      -3.633                -10.791                  1.666
 CID2   Fr= 1--     -50.505                 -1.588                  1.721
 Raman3 Fr= 1--       0.144                 13.592                  1.936
 ROA3   Fr= 1--     -15.171                -44.960                  6.452
 CID3   Fr= 1--    -105.456                 -3.308                  3.332
 RC180  Fr= 1--       0.714                  0.714                 -0.822
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.07   0.07   0.17    -0.15  -0.03   0.03     0.12   0.02  -0.12
     2   6     0.07  -0.07   0.17    -0.15   0.03   0.03    -0.12   0.02   0.12
     3  16     0.00  -0.00  -0.02     0.21  -0.00  -0.03    -0.00   0.04   0.00
     4   6    -0.06   0.01  -0.11    -0.10   0.19   0.01     0.21  -0.07   0.02
     5   6    -0.06  -0.01  -0.11    -0.10  -0.19   0.01    -0.21  -0.07  -0.02
     6   1     0.20   0.18   0.22    -0.15  -0.04   0.03     0.25   0.14  -0.07
     7   1     0.20  -0.18   0.22    -0.15   0.04   0.03    -0.25   0.14   0.07
     8   1     0.12  -0.18  -0.22    -0.21   0.28   0.09     0.09  -0.08   0.20
     9   1    -0.18  -0.02  -0.31     0.13   0.20  -0.15     0.16  -0.07   0.09
    10   1    -0.26   0.16  -0.09    -0.15   0.39   0.06     0.47  -0.11   0.03
    11   1     0.12   0.18  -0.22    -0.21  -0.28   0.09    -0.09  -0.08  -0.20
    12   1    -0.18   0.02  -0.31     0.13  -0.20  -0.15    -0.16  -0.07  -0.09
    13   1    -0.26  -0.16  -0.09    -0.15  -0.39   0.06    -0.47  -0.11  -0.03
                      7                      8                      9
                      A                      A                      A
 Frequencies --    599.4854               616.5952               839.6924
 Red. masses --      7.5805                 4.0588                 2.0572
 Frc consts  --      1.6051                 0.9092                 0.8546
 IR Inten    --     25.6985                 2.5850                 1.5768
 RamAct Fr= 1--     29.3195                18.5164                 9.0062
  Dep-P Fr= 1--      0.1473                 0.7500                 0.1669
  Dep-U Fr= 1--      0.2568                 0.8571                 0.2861
 Alpha2 Fr= 1--      0.4564                 0.0000                 0.1333
 Beta2  Fr= 1--      1.2547                 2.6452                 0.4294
 AlphaG Fr= 1--      0.2251                 0.0000                 0.0084
 Gamma2 Fr= 1--      3.2016                -4.9110                -2.2831
 Delta2 Fr= 1--      0.0001                -1.0096                 0.4156
 Raman1 Fr= 1--     117.278                 74.066                 36.025
 ROA1   Fr= 1--     307.362               -503.766               -205.879
 CID1   Fr= 1--       2.621                 -6.802                 -5.715
 Raman2 Fr= 1--      15.057                 31.742                  5.153
 ROA2   Fr= 1--      76.838               -109.788                -58.120
 CID2   Fr= 1--       5.103                 -3.459                -11.279
 Raman3 Fr= 1--      30.113                 63.485                 10.306
 ROA3   Fr= 1--     307.362               -503.766               -205.879
 CID3   Fr= 1--      10.207                 -7.935                -19.977
 RC180  Fr= 1--      -0.486                  0.714                 -0.428
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.12  -0.37  -0.04     0.00   0.31  -0.13    -0.02  -0.02  -0.16
     2   6     0.12  -0.37   0.04     0.00  -0.31  -0.13     0.02  -0.02   0.16
     3  16     0.00   0.32   0.00     0.07  -0.00   0.09    -0.00  -0.03  -0.00
     4   6    -0.00  -0.05  -0.02    -0.07   0.05   0.01    -0.14   0.04  -0.01
     5   6     0.00  -0.05   0.02    -0.07  -0.05   0.01     0.14   0.04   0.01
     6   1    -0.09  -0.24  -0.01     0.04   0.24  -0.14     0.18   0.05  -0.11
     7   1     0.09  -0.24   0.01     0.04  -0.24  -0.14    -0.18   0.05   0.11
     8   1    -0.19   0.17   0.07    -0.01  -0.12   0.06    -0.40   0.11   0.31
     9   1     0.35  -0.03  -0.13    -0.43   0.03   0.20    -0.14   0.06   0.22
    10   1    -0.05   0.11   0.02     0.15  -0.16  -0.03     0.27  -0.06   0.01
    11   1     0.19   0.17  -0.07    -0.01   0.12   0.06     0.40   0.11  -0.31
    12   1    -0.35  -0.03   0.13    -0.43  -0.03   0.20     0.14   0.06  -0.22
    13   1     0.05   0.11  -0.02     0.15   0.16  -0.03    -0.27  -0.06  -0.01
                     10                     11                     12
                      A                      A                      A
 Frequencies --    970.5395               996.2112              1007.6387
 Red. masses --      1.1475                 1.1191                 1.4723
 Frc consts  --      0.6368                 0.6544                 0.8808
 IR Inten    --      7.0527                 1.4604                 6.8214
 RamAct Fr= 1--      1.1888                 1.8634                 4.4562
  Dep-P Fr= 1--      0.7500                 0.1640                 0.7500
  Dep-U Fr= 1--      0.8571                 0.2818                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0278                 0.0000
 Beta2  Fr= 1--      0.1698                 0.0875                 0.6366
 AlphaG Fr= 1--     -0.0000                 0.0815                 0.0000
 Gamma2 Fr= 1--      0.4237                -0.9359                -1.8549
 Delta2 Fr= 1--      0.0269                -0.8527                 1.3223
 Raman1 Fr= 1--       4.755                  7.454                 17.825
 ROA1   Fr= 1--      41.533               -117.129               -135.757
 CID1   Fr= 1--       8.734                -15.714                 -7.616
 Raman2 Fr= 1--       2.038                  1.050                  7.639
 ROA2   Fr= 1--       9.952                -15.639                -55.097
 CID2   Fr= 1--       4.883                -14.890                 -7.212
 Raman3 Fr= 1--       4.076                  2.101                 15.278
 ROA3   Fr= 1--      41.533               -117.129               -135.757
 CID3   Fr= 1--      10.190                -55.760                 -8.886
 RC180  Fr= 1--       0.714                 -0.436                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.00  -0.00     0.01  -0.00  -0.03     0.07  -0.07   0.02
     2   6    -0.03  -0.00  -0.00    -0.01  -0.00   0.03     0.07   0.07   0.02
     3  16    -0.00  -0.00   0.02     0.00  -0.01   0.00    -0.00  -0.00  -0.01
     4   6    -0.00  -0.05  -0.05    -0.03  -0.05   0.03    -0.08   0.06  -0.04
     5   6    -0.00   0.05  -0.05     0.03  -0.05  -0.03    -0.08  -0.06  -0.04
     6   1     0.24   0.45   0.14     0.03   0.55   0.10     0.35  -0.21   0.04
     7   1     0.24  -0.45   0.14    -0.03   0.55  -0.10     0.35   0.21   0.04
     8   1    -0.24   0.14   0.15    -0.09   0.14  -0.03    -0.20  -0.04   0.21
     9   1     0.27  -0.02  -0.01     0.26  -0.03  -0.15    -0.25   0.06   0.25
    10   1     0.20   0.05   0.01    -0.18   0.17   0.07     0.27  -0.15  -0.05
    11   1    -0.24  -0.14   0.15     0.09   0.14   0.03    -0.20   0.04   0.21
    12   1     0.27   0.02  -0.01    -0.26  -0.03   0.15    -0.25  -0.06   0.25
    13   1     0.20  -0.05   0.01     0.18   0.17  -0.07     0.27   0.15  -0.05
                     13                     14                     15
                      A                      A                      A
 Frequencies --   1081.2906              1084.5669              1116.4943
 Red. masses --      1.4620                 2.4386                 1.5803
 Frc consts  --      1.0071                 1.6901                 1.1607
 IR Inten    --     12.6244                 6.9021                 9.5539
 RamAct Fr= 1--      5.5600                 1.6494                 2.3899
  Dep-P Fr= 1--      0.1865                 0.7500                 0.7500
  Dep-U Fr= 1--      0.3144                 0.8571                 0.8571
 Alpha2 Fr= 1--      0.0782                 0.0000                 0.0000
 Beta2  Fr= 1--      0.2914                 0.2356                 0.3414
 AlphaG Fr= 1--      0.0524                 0.0000                -0.0000
 Gamma2 Fr= 1--      0.1574                -3.1947                -0.3004
 Delta2 Fr= 1--     -0.6123                -0.8480                -0.3158
 Raman1 Fr= 1--      22.240                  6.598                  9.560
 ROA1   Fr= 1--      -4.482               -333.823                -38.942
 CID1   Fr= 1--      -0.202                -50.596                 -4.074
 Raman2 Fr= 1--       3.496                  2.828                  4.097
 ROA2   Fr= 1--       8.677                -69.888                 -4.683
 CID2   Fr= 1--       2.482                -24.716                 -1.143
 Raman3 Fr= 1--       6.993                  5.655                  8.194
 ROA3   Fr= 1--      -4.482               -333.823                -38.942
 CID3   Fr= 1--      -0.641                -59.029                 -4.753
 RC180  Fr= 1--      -0.371                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.09  -0.02     0.14  -0.09  -0.12    -0.09  -0.08  -0.01
     2   6    -0.03  -0.09   0.02     0.14   0.09  -0.12    -0.09   0.08  -0.01
     3  16     0.00   0.00  -0.00    -0.01   0.00   0.02     0.01  -0.00   0.01
     4   6     0.01   0.09   0.05    -0.10   0.02   0.11     0.07   0.08  -0.01
     5   6    -0.01   0.09  -0.05    -0.10  -0.02   0.11     0.07  -0.08  -0.01
     6   1     0.24   0.30   0.11     0.12   0.42  -0.02     0.03   0.40   0.12
     7   1    -0.24   0.30  -0.11     0.12  -0.42  -0.02     0.03  -0.40   0.12
     8   1     0.25  -0.20  -0.09     0.00   0.06  -0.08     0.28  -0.23  -0.08
     9   1    -0.40   0.04   0.04    -0.08   0.01  -0.10    -0.31   0.04   0.05
    10   1    -0.16  -0.12  -0.03    -0.43   0.14   0.10     0.05  -0.21  -0.09
    11   1    -0.25  -0.20   0.09     0.00  -0.06  -0.08     0.28   0.23  -0.08
    12   1     0.40   0.04  -0.04    -0.07  -0.01  -0.10    -0.31  -0.04   0.05
    13   1     0.16  -0.12   0.03    -0.43  -0.14   0.10     0.05   0.21  -0.09
                     16                     17                     18
                      A                      A                      A
 Frequencies --   1181.9917              1209.2001              1333.5710
 Red. masses --      1.7776                 1.7166                 1.2358
 Frc consts  --      1.4632                 1.4788                 1.2949
 IR Inten    --      0.4644                 2.9901                 4.5762
 RamAct Fr= 1--      3.2647                13.7102                 0.6826
  Dep-P Fr= 1--      0.0495                 0.2627                 0.7500
  Dep-U Fr= 1--      0.0942                 0.4161                 0.8571
 Alpha2 Fr= 1--      0.0646                 0.1568                 0.0000
 Beta2  Fr= 1--      0.0513                 0.9508                 0.0975
 AlphaG Fr= 1--     -0.0639                -0.2260                 0.0000
 Gamma2 Fr= 1--      0.5559                -0.5522                -0.5572
 Delta2 Fr= 1--     -0.0372                -0.1110                -0.0092
 Raman1 Fr= 1--      13.059                 54.841                  2.731
 ROA1   Fr= 1--      52.176                -56.563                -53.787
 CID1   Fr= 1--       3.995                 -1.031                -19.698
 Raman2 Fr= 1--       0.615                 11.410                  1.170
 ROA2   Fr= 1--      13.638                -12.366                -13.300
 CID2   Fr= 1--      22.163                 -1.084                -11.366
 Raman3 Fr= 1--       1.231                 22.820                  2.340
 ROA3   Fr= 1--      52.176                -56.563                -53.787
 CID3   Fr= 1--      42.394                 -2.479                -22.981
 RC180  Fr= 1--      -0.812                 -0.168                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.09   0.02  -0.12    -0.11   0.01  -0.12    -0.07   0.02  -0.03
     2   6    -0.09   0.02   0.12     0.11   0.01   0.12    -0.07  -0.02  -0.03
     3  16     0.00   0.01  -0.00     0.00  -0.02   0.00     0.00  -0.00  -0.00
     4   6    -0.03  -0.01   0.11     0.06   0.02   0.00     0.01  -0.01   0.06
     5   6     0.03  -0.01  -0.11    -0.06   0.02  -0.00     0.01   0.01   0.06
     6   1     0.04  -0.40  -0.22    -0.59   0.16  -0.18     0.60  -0.23   0.03
     7   1    -0.04  -0.40   0.22     0.59   0.16   0.18     0.60   0.23   0.03
     8   1     0.09   0.07  -0.14     0.16  -0.06  -0.09     0.14   0.02  -0.14
     9   1     0.01  -0.02  -0.15    -0.11   0.00  -0.07     0.04  -0.02  -0.15
    10   1    -0.40   0.15   0.10    -0.03  -0.08  -0.04    -0.08   0.00   0.04
    11   1    -0.09   0.07   0.14    -0.16  -0.06   0.09     0.14  -0.02  -0.14
    12   1    -0.01  -0.02   0.15     0.11   0.00   0.07     0.04   0.02  -0.15
    13   1     0.40   0.15  -0.10     0.03  -0.08   0.04    -0.08  -0.00   0.04
                     19                     20                     21
                      A                      A                      A
 Frequencies --   1414.1948              1414.9195              1432.2579
 Red. masses --      1.2185                 1.2506                 1.9642
 Frc consts  --      1.4358                 1.4751                 2.3739
 IR Inten    --      0.9937                 8.4806                 8.4026
 RamAct Fr= 1--      0.4952                 1.4302                 4.6855
  Dep-P Fr= 1--      0.3228                 0.7500                 0.1399
  Dep-U Fr= 1--      0.4881                 0.8571                 0.2455
 Alpha2 Fr= 1--      0.0047                 0.0000                 0.0743
 Beta2  Fr= 1--      0.0403                 0.2043                 0.1917
 AlphaG Fr= 1--     -0.0082                -0.0000                -0.0367
 Gamma2 Fr= 1--     -0.4355                 0.2281                -0.8905
 Delta2 Fr= 1--     -0.0089                -0.1343                 0.2166
 Raman1 Fr= 1--       1.981                  5.721                 18.742
 ROA1   Fr= 1--     -42.089                 17.596                -78.559
 CID1   Fr= 1--     -21.248                  3.076                 -4.192
 Raman2 Fr= 1--       0.483                  2.452                  2.301
 ROA2   Fr= 1--     -10.380                  6.549                -23.106
 CID2   Fr= 1--     -21.471                  2.671                -10.043
 Raman3 Fr= 1--       0.967                  4.904                  4.601
 ROA3   Fr= 1--     -42.089                 17.596                -78.559
 CID3   Fr= 1--     -43.532                  3.588                -17.073
 RC180  Fr= 1--      -0.024                  0.714                 -0.509
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.01  -0.01     0.02  -0.00   0.00    -0.18   0.05  -0.03
     2   6     0.03   0.01   0.01     0.02   0.00   0.00     0.18   0.05   0.03
     3  16     0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.01   0.00
     4   6    -0.08   0.03   0.04    -0.09   0.03   0.03     0.07  -0.03   0.03
     5   6     0.08   0.03  -0.04    -0.09  -0.04   0.03    -0.07  -0.03  -0.03
     6   1     0.10  -0.02  -0.00    -0.07   0.02  -0.01     0.56  -0.11   0.07
     7   1    -0.11  -0.02   0.00    -0.07  -0.02  -0.01    -0.56  -0.11  -0.07
     8   1     0.24  -0.18  -0.22     0.22  -0.23  -0.20    -0.03   0.18  -0.01
     9   1     0.36   0.04  -0.24     0.39   0.05  -0.16    -0.13  -0.06  -0.22
    10   1     0.32  -0.23   0.01     0.35  -0.21   0.00    -0.14  -0.07  -0.01
    11   1    -0.24  -0.18   0.22     0.22   0.23  -0.20     0.03   0.18   0.01
    12   1    -0.35   0.04   0.24     0.39  -0.05  -0.16     0.13  -0.06   0.22
    13   1    -0.31  -0.23  -0.01     0.35   0.21   0.01     0.14  -0.07   0.01
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1481.9876              1486.9626              1496.7428
 Red. masses --      1.0422                 1.0804                 1.0408
 Frc consts  --      1.3487                 1.4074                 1.3738
 IR Inten    --      9.9779                 6.0692                 9.8631
 RamAct Fr= 1--      5.0125                 3.0937                 8.2121
  Dep-P Fr= 1--      0.7500                 0.7500                 0.7500
  Dep-U Fr= 1--      0.8571                 0.8571                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.7161                 0.4419                 1.1732
 AlphaG Fr= 1--      0.0000                -0.0006                -0.0000
 Gamma2 Fr= 1--      0.8746                 2.1718                -4.1099
 Delta2 Fr= 1--      1.8138                -0.2309                -2.3720
 Raman1 Fr= 1--      20.050                 12.375                 32.848
 ROA1   Fr= 1--     142.003                201.103               -470.449
 CID1   Fr= 1--       7.082                 16.251                -14.322
 Raman2 Fr= 1--       8.593                  5.303                 14.078
 ROA2   Fr= 1--       6.480                 53.969                -79.661
 CID2   Fr= 1--       0.754                 10.177                 -5.659
 Raman3 Fr= 1--      17.186                 10.607                 28.156
 ROA3   Fr= 1--     142.003                201.103               -470.449
 CID3   Fr= 1--       8.263                 18.960                -16.709
 RC180  Fr= 1--       0.714                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.01  -0.01    -0.04  -0.00  -0.02     0.01  -0.01   0.01
     2   6    -0.01   0.01  -0.01     0.04  -0.00   0.02     0.01   0.01   0.01
     3  16     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     4   6    -0.02  -0.02  -0.02    -0.02  -0.03  -0.01    -0.01  -0.03   0.02
     5   6    -0.02   0.02  -0.02     0.02  -0.03   0.01    -0.01   0.03   0.02
     6   1     0.04   0.00   0.00     0.10  -0.00   0.00    -0.06   0.03   0.01
     7   1     0.04  -0.00   0.00    -0.10  -0.00  -0.00    -0.06  -0.03   0.01
     8   1     0.18  -0.16  -0.17     0.21  -0.06  -0.27     0.02   0.38  -0.33
     9   1     0.07   0.02   0.45    -0.00   0.01   0.37    -0.30  -0.05  -0.13
    10   1     0.06   0.43   0.12     0.14   0.43   0.14     0.36   0.11   0.09
    11   1     0.18   0.16  -0.17    -0.21  -0.06   0.27     0.02  -0.37  -0.32
    12   1     0.07  -0.02   0.45     0.00   0.01  -0.37    -0.29   0.05  -0.12
    13   1     0.06  -0.43   0.12    -0.14   0.43  -0.14     0.35  -0.11   0.09
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1496.8401              3022.3890              3023.5479
 Red. masses --      1.0650                 1.0409                 1.0407
 Frc consts  --      1.4060                 5.6020                 5.6056
 IR Inten    --      1.2565                32.5842                29.1358
 RamAct Fr= 1--      4.5262                34.5028               401.0913
  Dep-P Fr= 1--      0.7330                 0.7500                 0.0289
  Dep-U Fr= 1--      0.8459                 0.8571                 0.0562
 Alpha2 Fr= 1--      0.0013                 0.0000                 8.3283
 Beta2  Fr= 1--      0.6381                 4.9289                 3.7598
 AlphaG Fr= 1--     -0.0149                 0.0000                 1.8116
 Gamma2 Fr= 1--      2.9902                 0.3145                 6.7217
 Delta2 Fr= 1--      1.3354                -0.5535                -3.5871
 Raman1 Fr= 1--      18.105                138.011               1604.365
 ROA1   Fr= 1--     329.797                 12.480                530.495
 CID1   Fr= 1--      18.216                  0.090                  0.331
 Raman2 Fr= 1--       7.658                 59.146                 45.117
 ROA2   Fr= 1--      61.082                 11.977                190.017
 CID2   Fr= 1--       7.977                  0.202                  4.212
 Raman3 Fr= 1--      15.315                118.293                 90.234
 ROA3   Fr= 1--     329.797                 12.480                530.495
 CID3   Fr= 1--      21.534                  0.106                  5.879
 RC180  Fr= 1--       0.692                  0.714                 -0.888
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.01   0.02    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     2   6    -0.03  -0.02  -0.02    -0.00   0.00  -0.00    -0.00   0.00   0.00
     3  16    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     4   6    -0.01  -0.02   0.02     0.02  -0.03  -0.01     0.02  -0.03  -0.01
     5   6     0.01  -0.02  -0.02     0.02   0.03  -0.01    -0.02  -0.03   0.01
     6   1    -0.08   0.02   0.01     0.00  -0.00   0.01    -0.00  -0.01   0.02
     7   1     0.08   0.02  -0.01     0.00   0.00   0.01     0.00  -0.01  -0.02
     8   1    -0.04   0.40  -0.26    -0.21  -0.13  -0.16    -0.21  -0.13  -0.16
     9   1    -0.31  -0.05  -0.21    -0.04   0.57  -0.04    -0.04   0.57  -0.04
    10   1     0.32   0.01   0.06    -0.03  -0.08   0.28    -0.03  -0.09   0.28
    11   1     0.04   0.41   0.27    -0.21   0.13  -0.16     0.21  -0.13   0.16
    12   1     0.32  -0.05   0.21    -0.04  -0.57  -0.04     0.04   0.57   0.04
    13   1    -0.33   0.02  -0.06    -0.03   0.08   0.27     0.03  -0.09  -0.28
                     28                     29                     30
                      A                      A                      A
 Frequencies --   3085.4594              3086.1435              3107.1081
 Red. masses --      1.0938                 1.0938                 1.0994
 Frc consts  --      6.1354                 6.1377                 6.2533
 IR Inten    --      9.4091                18.5080                16.9283
 RamAct Fr= 1--     37.5072               134.1688                18.4200
  Dep-P Fr= 1--      0.7500                 0.5526                 0.7499
  Dep-U Fr= 1--      0.8571                 0.7118                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.5055                 0.0000
 Beta2  Fr= 1--      5.3581                15.9171                 2.6313
 AlphaG Fr= 1--     -0.0000                -0.8952                 0.0000
 Gamma2 Fr= 1--     30.0619               -22.9698               -28.1655
 Delta2 Fr= 1--     18.4155               -14.5600               -26.5416
 Raman1 Fr= 1--     150.029                536.675                 73.680
 ROA1   Fr= 1--    3475.238              -2671.020              -3553.218
 CID1   Fr= 1--      23.164                 -4.977                -48.225
 Raman2 Fr= 1--      64.298                191.005                 31.576
 ROA2   Fr= 1--     574.162               -434.794               -463.639
 CID2   Fr= 1--       8.930                 -2.276                -14.683
 Raman3 Fr= 1--     128.595                382.010                 63.151
 ROA3   Fr= 1--    3475.238              -2671.020              -3553.218
 CID3   Fr= 1--      27.025                 -6.992                -56.265
 RC180  Fr= 1--       0.714                  0.424                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.02
     2   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.02
     3  16     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     4   6     0.03   0.05  -0.01    -0.03  -0.05   0.01    -0.02  -0.00  -0.06
     5   6     0.03  -0.05  -0.01     0.03  -0.05  -0.01    -0.02   0.00  -0.06
     6   1     0.01   0.01  -0.05    -0.01  -0.01   0.05     0.05   0.06  -0.27
     7   1     0.01  -0.01  -0.05     0.01  -0.01  -0.05     0.05  -0.06  -0.27
     8   1    -0.35  -0.19  -0.26     0.36   0.19   0.27     0.31   0.17   0.21
     9   1     0.04  -0.39   0.03    -0.04   0.39  -0.03    -0.00  -0.03  -0.01
    10   1    -0.03  -0.08   0.33     0.03   0.08  -0.31    -0.06  -0.14   0.47
    11   1    -0.35   0.19  -0.26    -0.36   0.19  -0.26     0.31  -0.18   0.21
    12   1     0.04   0.39   0.03     0.04   0.39   0.03    -0.00   0.04  -0.01
    13   1    -0.03   0.08   0.33    -0.03   0.08   0.31    -0.06   0.14   0.48
                     31                     32                     33
                      A                      A                      A
 Frequencies --   3107.4496              3124.3325              3134.2222
 Red. masses --      1.0978                 1.0925                 1.0893
 Frc consts  --      6.2455                 6.2834                 6.3044
 IR Inten    --      1.4913                 7.1933                30.4046
 RamAct Fr= 1--    136.6362               109.2884                23.9919
  Dep-P Fr= 1--      0.5878                 0.0558                 0.7500
  Dep-U Fr= 1--      0.7404                 0.1058                 0.8571
 Alpha2 Fr= 1--      0.4134                 2.1290                 0.0000
 Beta2  Fr= 1--     16.8616                 1.9263                 3.4274
 AlphaG Fr= 1--      0.0674                -2.9360                -0.0000
 Gamma2 Fr= 1--     37.9600                -9.9525                 3.3011
 Delta2 Fr= 1--     33.2432               -10.0799                 5.0374
 Raman1 Fr= 1--     546.545                437.154                 95.968
 ROA1   Fr= 1--    4707.943              -1277.995                478.102
 CID1   Fr= 1--       8.614                 -2.923                  4.982
 Raman2 Fr= 1--     202.340                 23.115                 41.129
 ROA2   Fr= 1--     645.095               -158.221                 38.927
 CID2   Fr= 1--       3.188                 -6.845                  0.946
 Raman3 Fr= 1--     404.679                 46.230                 82.258
 ROA3   Fr= 1--    4707.943              -1277.995                478.102
 CID3   Fr= 1--      11.634                -27.644                  5.812
 RC180  Fr= 1--       0.481                 -0.788                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.01   0.03    -0.01  -0.01   0.05     0.01   0.01  -0.05
     2   6     0.01  -0.01  -0.03     0.01  -0.01  -0.05     0.01  -0.01  -0.05
     3  16     0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     4   6    -0.02   0.00  -0.05     0.01  -0.01   0.03    -0.01   0.00  -0.02
     5   6     0.02   0.00   0.05    -0.01  -0.01  -0.03    -0.01  -0.00  -0.02
     6   1     0.06   0.07  -0.34     0.11   0.13  -0.59    -0.11  -0.14   0.62
     7   1    -0.06   0.07   0.34    -0.11   0.13   0.59    -0.11   0.14   0.62
     8   1     0.28   0.16   0.20    -0.14  -0.08  -0.09     0.11   0.06   0.07
     9   1    -0.00  -0.03  -0.01    -0.01   0.07   0.00     0.00  -0.05  -0.00
    10   1    -0.05  -0.13   0.46     0.03   0.08  -0.28    -0.03  -0.06   0.23
    11   1    -0.28   0.16  -0.20     0.14  -0.08   0.09     0.11  -0.06   0.07
    12   1     0.00  -0.03   0.01     0.01   0.07  -0.00     0.00   0.05  -0.00
    13   1     0.05  -0.13  -0.45    -0.03   0.08   0.28    -0.03   0.06   0.23

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number 16 and mass  31.97207
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  1 and mass   1.00783
 Atom     7 has atomic number  1 and mass   1.00783
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Molecular mass:    88.03467 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   337.44898 512.27653 763.16157
           X            0.99997   0.00000  -0.00759
           Y           -0.00000   1.00000   0.00000
           Z            0.00759  -0.00000   0.99997
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Rotational temperatures (Kelvin)      0.25667     0.16908     0.11349
 Rotational constants (GHZ):           5.34819     3.52298     2.36482
 Zero-point vibrational energy     291305.6 (Joules/Mol)
                                   69.62372 (Kcal/Mol)
 Warning -- explicit consideration of   8 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    300.89   323.38   341.25   429.65   483.47
          (Kelvin)            640.17   862.53   887.14  1208.13  1396.39
                             1433.33  1449.77  1555.74  1560.45  1606.39
                             1700.62  1739.77  1918.71  2034.71  2035.75
                             2060.70  2132.25  2139.41  2153.48  2153.62
                             4348.54  4350.21  4439.29  4440.27  4470.44
                             4470.93  4495.22  4509.45
 
 Zero-point correction=                           0.110952 (Hartree/Particle)
 Thermal correction to Energy=                    0.117081
 Thermal correction to Enthalpy=                  0.118025
 Thermal correction to Gibbs Free Energy=         0.081573
 Sum of electronic and zero-point Energies=           -555.419213
 Sum of electronic and thermal Energies=              -555.413084
 Sum of electronic and thermal Enthalpies=            -555.412140
 Sum of electronic and thermal Free Energies=         -555.448593
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                   73.470             21.817             76.721
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             39.338
 Rotational               0.889              2.981             26.381
 Vibrational             71.692             15.855             11.002
 Vibration     1          0.642              1.827              2.051
 Vibration     2          0.649              1.803              1.920
 Vibration     3          0.656              1.784              1.824
 Vibration     4          0.692              1.676              1.425
 Vibration     5          0.717              1.604              1.231
 Vibration     6          0.804              1.372              0.811
 Vibration     7          0.958              1.033              0.451
 Vibration     8          0.976              0.997              0.422
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.301378D-37        -37.520889        -86.395039
 Total V=0       0.326326D+14         13.513652         31.116333
 Vib (Bot)       0.713948D-50        -50.146333       -115.466199
 Vib (Bot)    1  0.950067D+00         -0.022246         -0.051223
 Vib (Bot)    2  0.878280D+00         -0.056367         -0.129790
 Vib (Bot)    3  0.827774D+00         -0.082088         -0.189015
 Vib (Bot)    4  0.637333D+00         -0.195634         -0.450463
 Vib (Bot)    5  0.553970D+00         -0.256514         -0.590645
 Vib (Bot)    6  0.386994D+00         -0.412295         -0.949345
 Vib (Bot)    7  0.249211D+00         -0.603432         -1.389454
 Vib (Bot)    8  0.238026D+00         -0.623376         -1.435376
 Vib (V=0)       0.773049D+01          0.888207          2.045173
 Vib (V=0)    1  0.157360D+01          0.196896          0.453369
 Vib (V=0)    2  0.151063D+01          0.179158          0.412528
 Vib (V=0)    3  0.146706D+01          0.166449          0.383262
 Vib (V=0)    4  0.131006D+01          0.117290          0.270071
 Vib (V=0)    5  0.124625D+01          0.095604          0.220136
 Vib (V=0)    6  0.113227D+01          0.053950          0.124224
 Vib (V=0)    7  0.105866D+01          0.024758          0.057008
 Vib (V=0)    8  0.105377D+01          0.022744          0.052370
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.324664D+08          7.511435         17.295717
 Rotational      0.130020D+06          5.114010         11.775443
 
                                                          ROA calculations.
                                                             IR Spectrum
 
  333333 33                                                          1111111  1     11 111 1                                         
  111100 00                                                          4444444  3     21 100 099    8        65     4    32 222        
  320088 22                                                          9988311  3     08 188 097    4        19     4    39 320        
  447765 42                                                          7772254  4     92 651 861    0        79     5    69 759        
 
  XXXXXX XX                                                          XXXXXXX  X     XX XXX XXX    X        XX     X    XX X X        
  XX XXX XX                                                           XXXXX   X     X  XXX X X             XX                        
  XX XXX XX                                                           XXXXX   X        XXX X X              X                        
  XX XXX XX                                                           XXXXX            XXX X X              X                        
  X  XXX XX                                                           X XXX            X X                  X                        
  X  XXX XX                                                           X X              X X                  X                        
  X  XX  XX                                                                              X                  X                        
  X  XX  XX                                                                              X                  X                        
  X  XX  XX                                                                                                 X                        
  X  XX  XX                                                                                                 X                        
  X   X  XX                                                                                                 X                        
  X      XX                                                                                                 X                        
  X      XX                                                                                                 X                        
  X      XX                                                                                                 X                        
  X      XX                                                                                                 X                        
  X      XX                                                                                                 X                        
  X      XX                                                                                                                          
  X      XX                                                                                                                          
  X       X                                                                                                                          
          X                                                                                                                          
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000007101   -0.000004127   -0.000000189
      2        6          -0.000004526   -0.000002047    0.000000634
      3       16          -0.000000268    0.000008362   -0.000000211
      4        6           0.000001636   -0.000004402    0.000000326
      5        6          -0.000004171   -0.000004117   -0.000000802
      6        1          -0.000006524   -0.000003578    0.000000299
      7        1           0.000005989   -0.000002536   -0.000000826
      8        1           0.000000115    0.000000567   -0.000000921
      9        1           0.000002865    0.000001575    0.000001191
     10        1          -0.000006435    0.000004558    0.000000667
     11        1           0.000000618   -0.000000444    0.000000910
     12        1          -0.000002603    0.000001032   -0.000000392
     13        1           0.000006205    0.000005158   -0.000000685
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000008362 RMS     0.000003468
 Force constants in Cartesian coordinates: 
                1             2             3             4             5 
      1  0.507128D+00
      2 -0.699959D-01  0.234919D+00
      3 -0.780328D-02 -0.771161D-01  0.591197D+00
      4 -0.178999D+00  0.251354D-01 -0.822112D-01  0.507131D+00
      5 -0.251380D-01 -0.288134D-01 -0.147645D-01  0.699970D-01  0.234918D+00
      6 -0.822106D-01  0.147631D-01 -0.135959D+00 -0.780737D-02  0.771188D-01
      7 -0.310167D-01  0.229458D-01 -0.330697D-02 -0.310158D-01 -0.229440D-01
      8  0.556407D-01 -0.883263D-01  0.445656D-01 -0.556389D-01 -0.883249D-01
      9 -0.347798D-02  0.255119D-01 -0.345022D-01 -0.347708D-02 -0.255103D-01
     10 -0.183308D+00  0.318016D-01  0.434309D-01 -0.244598D-01  0.683691D-02
     11  0.327649D-01 -0.696949D-01 -0.165241D-01 -0.108214D-01 -0.311854D-04
     12  0.460062D-01 -0.111509D-01 -0.104352D+00 -0.155177D-01  0.432117D-02
     13 -0.244605D-01 -0.683639D-02  0.726258D-02 -0.183311D+00 -0.318026D-01
     14  0.108218D-01 -0.309827D-04 -0.828842D-02 -0.327659D-01 -0.696945D-01
     15 -0.155160D-01 -0.432163D-02  0.867532D-02  0.460100D-01  0.111523D-01
     16 -0.594038D-01 -0.796202D-02  0.501976D-01  0.270167D-02  0.586583D-02
     17 -0.129933D-01 -0.448381D-01  0.628196D-01  0.289830D-02  0.105467D-02
     18  0.467990D-01  0.579185D-01 -0.303023D+00  0.234323D-02  0.343792D-02
     19  0.270202D-02 -0.586617D-02 -0.246335D-01 -0.594049D-01  0.796271D-02
     20 -0.289853D-02  0.105473D-02  0.120397D-01  0.129943D-01 -0.448394D-01
     21  0.234332D-02 -0.343821D-02 -0.169829D-01  0.468005D-01 -0.579211D-01
     22 -0.246091D-01 -0.103976D-01 -0.177935D-01 -0.281906D-02 -0.411484D-03
     23  0.995190D-02  0.268470D-02  0.731833D-02  0.301885D-02  0.129122D-02
     24  0.107669D-01  0.547593D-02  0.801006D-02  0.153880D-02 -0.608953D-03
     25 -0.371411D-02  0.289149D-01 -0.231285D-02  0.247534D-02  0.130598D-03
     26  0.236963D-02 -0.983551D-02  0.412472D-03  0.219946D-03  0.216868D-03
     27  0.921147D-03 -0.109929D-01  0.214174D-03 -0.474341D-03  0.328911D-03
     28 -0.563272D-02 -0.844987D-02  0.310287D-01  0.165850D-02 -0.428850D-03
     29  0.220286D-02  0.823515D-03 -0.107787D-01 -0.513509D-03  0.549665D-03
     30  0.222243D-02  0.336099D-02 -0.129711D-01 -0.111418D-02  0.290984D-03
     31 -0.281901D-02  0.412034D-03  0.465354D-02 -0.246101D-01  0.104005D-01
     32 -0.301944D-02  0.129126D-02  0.986291D-03 -0.995298D-02  0.268599D-02
     33  0.153806D-02  0.608875D-03 -0.108530D-02  0.107661D-01 -0.547780D-02
     34  0.247448D-02 -0.130573D-03 -0.441224D-03 -0.371577D-02 -0.289143D-01
     35 -0.220165D-03  0.216433D-03 -0.298618D-03 -0.236966D-02 -0.983530D-02
     36 -0.474420D-03 -0.328500D-03  0.126937D-03  0.921629D-03  0.109927D-01
     37  0.165860D-02  0.428824D-03  0.192925D-02 -0.563101D-02  0.844562D-02
     38  0.513483D-03  0.549801D-03 -0.371421D-03 -0.220132D-02  0.822280D-03
     39 -0.111479D-02 -0.291050D-03  0.651645D-03  0.222163D-02 -0.336011D-02
                6             7             8             9            10 
      6  0.591196D+00
      7 -0.330617D-02  0.703721D-01
      8 -0.445644D-01 -0.215505D-05  0.239744D+00
      9 -0.345023D-01  0.148183D-01 -0.100083D-05  0.577827D-01
     10  0.726191D-02 -0.157424D-02  0.458469D-02 -0.146569D-02  0.498590D+00
     11  0.828824D-02  0.278724D-01 -0.194160D-01 -0.404471D-02  0.280309D-01
     12  0.867543D-02 -0.207048D-02  0.130362D-02  0.107580D-02  0.283320D-01
     13  0.434324D-01 -0.157473D-02 -0.458539D-02 -0.146651D-02 -0.790515D-03
     14  0.165262D-01 -0.278724D-01 -0.194156D-01  0.404428D-02  0.217599D-02
     15 -0.104353D+00 -0.207219D-02 -0.130530D-02  0.107571D-02 -0.129508D-02
     16 -0.246332D-01 -0.725945D-03  0.136948D-02 -0.282880D-02 -0.375653D-02
     17 -0.120402D-01  0.313902D-02 -0.153615D-01  0.228326D-01  0.174170D-02
     18 -0.169827D-01 -0.180955D-02 -0.398509D-03  0.278197D-02  0.717661D-03
     19  0.501993D-01 -0.725890D-03 -0.136907D-02 -0.282861D-02  0.188848D-02
     20 -0.628228D-01 -0.313875D-02 -0.153613D-01 -0.228323D-01 -0.943069D-03
     21 -0.303021D+00 -0.180959D-02  0.398748D-03  0.278233D-02  0.179131D-02
     22  0.465330D-02  0.138649D-02  0.447809D-03  0.227117D-04 -0.188188D+00
     23 -0.986336D-03 -0.131942D-02  0.144416D-02 -0.582878D-04 -0.823091D-01
     24 -0.108503D-02 -0.714970D-03  0.247949D-03 -0.371974D-05 -0.104420D+00
     25 -0.441161D-03 -0.459669D-02  0.339249D-02  0.103706D-02 -0.482144D-01
     26  0.298675D-03  0.139226D-02  0.100389D-02 -0.121899D-02  0.168367D-01
     27  0.127338D-03  0.124197D-02 -0.131400D-02  0.734912D-03 -0.571356D-03
     28  0.192897D-02  0.134052D-02 -0.494798D-03 -0.696569D-03 -0.494728D-01
     29  0.371498D-03 -0.690092D-03  0.783086D-03 -0.970266D-03 -0.823536D-02
     30  0.651375D-03 -0.749373D-03 -0.397067D-03  0.102165D-02  0.260267D-01
     31 -0.177902D-01  0.138716D-02 -0.447583D-03  0.226450D-04 -0.706194D-03
     32 -0.731726D-02  0.131949D-02  0.144452D-02  0.583095D-04 -0.443131D-03
     33  0.800865D-02 -0.714808D-03 -0.247709D-03 -0.363972D-05  0.300704D-03
     34 -0.231779D-02 -0.459643D-02 -0.339211D-02  0.103706D-02  0.140687D-03
     35 -0.413941D-03 -0.139240D-02  0.100368D-02  0.121888D-02 -0.583676D-04
     36  0.215914D-03  0.124280D-02  0.131490D-02  0.735229D-03 -0.902581D-04
     37  0.310306D-01  0.134013D-02  0.494876D-03 -0.696562D-03 -0.149436D-03
     38  0.107784D-01  0.690245D-03  0.782722D-03  0.969880D-03 -0.193936D-04
     39 -0.129714D-01 -0.748978D-03  0.397196D-03  0.102153D-02 -0.189108D-04
               11            12            13            14            15 
     11  0.538752D+00
     12 -0.154444D-01  0.564689D+00
     13 -0.217594D-02 -0.129528D-02  0.498592D+00
     14  0.185370D-02  0.167575D-02 -0.280279D-01  0.538753D+00
     15 -0.167526D-02 -0.241652D-02  0.283270D-01  0.154428D-01  0.564690D+00
     16 -0.671844D-02  0.274105D-01  0.188848D-02 -0.642169D-03 -0.763660D-03
     17  0.442218D-02 -0.963699D-02  0.943222D-03  0.134438D-03  0.624770D-03
     18  0.190956D-02 -0.747647D-02  0.179148D-02 -0.480924D-03  0.960105D-03
     19  0.642253D-03 -0.763157D-03 -0.375573D-02  0.671760D-02  0.274108D-01
     20  0.134680D-03 -0.624870D-03 -0.174187D-02  0.442133D-02  0.963726D-02
     21  0.480810D-03  0.960243D-03  0.717656D-03 -0.190942D-02 -0.747675D-02
     22 -0.800493D-01 -0.103125D+00 -0.706116D-03  0.125018D-02 -0.105928D-02
     23 -0.918318D-01 -0.587778D-01  0.443020D-03 -0.476152D-03  0.401558D-03
     24 -0.583921D-01 -0.123701D+00  0.300739D-03  0.564901D-04  0.558185D-03
     25  0.179874D-01 -0.744450D-03  0.140709D-03 -0.149837D-03  0.119905D-03
     26 -0.297495D+00  0.177090D-01  0.584127D-04 -0.674156D-04  0.158858D-03
     27  0.170517D-01 -0.491096D-01 -0.902533D-04  0.713054D-04 -0.203475D-05
     28 -0.663599D-02  0.228386D-01 -0.149485D-03 -0.203752D-03 -0.131518D-03
     29 -0.660120D-01  0.710106D-01  0.194272D-04 -0.137844D-03 -0.175408D-03
     30  0.685200D-01 -0.289194D+00 -0.188517D-04  0.415430D-04  0.293706D-03
     31 -0.125016D-02 -0.105936D-02 -0.188187D+00  0.800773D-01 -0.103101D+00
     32 -0.476139D-03 -0.401666D-03  0.823380D-01 -0.918633D-01  0.587851D-01
     33 -0.565755D-04  0.558225D-03 -0.104395D+00  0.583990D-01 -0.123667D+00
     34  0.149732D-03  0.119915D-03 -0.482174D-01 -0.180067D-01 -0.748936D-03
     35 -0.674233D-04 -0.158793D-03 -0.168564D-01 -0.297487D+00 -0.177524D-01
     36 -0.713869D-04 -0.202239D-05 -0.575701D-03 -0.170957D-01 -0.491158D-01
     37  0.203759D-03 -0.131534D-03 -0.494682D-01  0.662568D-02  0.228204D-01
     38 -0.137831D-03  0.175330D-03  0.822429D-02 -0.659890D-01 -0.709726D-01
     39 -0.417187D-04  0.293827D-03  0.260095D-01 -0.684829D-01 -0.289222D+00
               16            17            18            19            20 
     16  0.651911D-01
     17  0.442489D-02  0.536232D-01
     18 -0.493356D-01 -0.628000D-01  0.322111D+00
     19 -0.245448D-02 -0.168133D-02 -0.163390D-02  0.651912D-01
     20  0.168121D-02  0.511160D-03  0.170869D-02 -0.442530D-02  0.536245D-01
     21 -0.163384D-02 -0.170868D-02 -0.541957D-03 -0.493372D-01  0.628025D-01
     22  0.816917D-03 -0.301250D-04  0.415967D-03  0.298922D-03 -0.145855D-03
     23 -0.609238D-03 -0.609790D-04  0.916784D-05 -0.111523D-03 -0.123461D-03
     24 -0.656550D-03  0.366365D-03  0.464870D-03  0.278306D-03  0.272591D-04
     25  0.923391D-03 -0.892536D-03  0.219905D-03 -0.168364D-03 -0.832223D-04
     26  0.306206D-03  0.388683D-03 -0.429213D-03  0.229877D-03 -0.516715D-04
     27 -0.522543D-03  0.381837D-03  0.000000D+00  0.556734D-04  0.179595D-03
     28 -0.493239D-02  0.204910D-02  0.132165D-02 -0.378984D-03 -0.172010D-03
     29  0.211351D-02  0.247424D-03 -0.756007D-03 -0.289129D-03  0.537347D-04
     30  0.191721D-02 -0.789776D-03  0.761614D-03  0.514681D-03 -0.157236D-03
     31  0.298944D-03  0.145805D-03  0.201579D-03  0.816520D-03  0.299464D-04
     32  0.111512D-03 -0.123419D-03  0.373547D-04  0.609253D-03 -0.610322D-04
     33  0.278323D-03 -0.272065D-04  0.384980D-03 -0.656543D-03 -0.366263D-03
     34 -0.168379D-03  0.832130D-04 -0.323098D-03  0.923723D-03  0.892469D-03
     35 -0.229763D-03 -0.515801D-04 -0.132475D-03 -0.306062D-03  0.389067D-03
     36  0.556852D-04 -0.179681D-03 -0.317433D-04 -0.522751D-03 -0.381680D-03
     37 -0.379000D-03  0.172023D-03 -0.708300D-03 -0.493246D-02 -0.204929D-02
     38  0.289002D-03  0.538281D-04 -0.241533D-04 -0.211312D-02  0.247634D-03
     39  0.514882D-03  0.157307D-03  0.590715D-03  0.191691D-02  0.790144D-03
               21            22            23            24            25 
     21  0.322110D+00
     22  0.201603D-03  0.208653D+00
     23 -0.373099D-04  0.868365D-01  0.964569D-01
     24  0.384894D-03  0.112597D+00  0.651053D-01  0.129816D+00
     25 -0.323263D-03  0.241014D-02 -0.238611D-01  0.292424D-02  0.515864D-01
     26  0.132632D-03  0.540979D-03 -0.129534D-01  0.117960D-02 -0.221077D-01
     27 -0.317682D-04  0.202390D-02 -0.175946D-01  0.105903D-02 -0.223973D-03
     28 -0.708200D-03  0.320269D-02  0.777134D-02 -0.227573D-01 -0.784062D-03
     29  0.241036D-04  0.220931D-02  0.346254D-02 -0.135178D-01 -0.330796D-02
     30  0.590520D-03  0.185447D-02  0.466721D-02 -0.154548D-01 -0.319195D-03
     31  0.416010D-03 -0.558638D-03  0.215173D-03  0.188018D-03  0.115750D-03
     32 -0.916454D-05 -0.215201D-03  0.921641D-04  0.572802D-04  0.150200D-04
     33  0.464531D-03  0.188023D-03 -0.572839D-04 -0.411391D-04  0.504475D-04
     34  0.219842D-03  0.115705D-03 -0.150075D-04  0.504541D-04 -0.163691D-03
     35  0.429268D-03 -0.417681D-04 -0.631076D-05  0.302028D-04 -0.895574D-04
     36  0.000000D+00 -0.334627D-04  0.255061D-04 -0.262478D-04  0.207208D-04
     37  0.132186D-02 -0.356600D-05 -0.113006D-04 -0.955199D-04 -0.104370D-04
     38  0.755800D-03  0.665258D-05  0.203677D-04 -0.275172D-04  0.515911D-04
     39  0.761589D-03  0.546983D-04 -0.153838D-04  0.193496D-04 -0.739099D-05
               26            27            28            29            30 
     26  0.326037D+00
     27 -0.185638D-01  0.469492D-01
     28  0.466988D-04 -0.236276D-02  0.550430D-01
     29 -0.736887D-02  0.305180D-01  0.651587D-02  0.675630D-01
     30  0.337514D-03  0.117808D-03 -0.301701D-01 -0.758350D-01  0.314249D+00
     31  0.417559D-04 -0.334528D-04 -0.358872D-05 -0.664136D-05  0.546965D-04
     32 -0.631063D-05 -0.254969D-04  0.113022D-04  0.203741D-04  0.153930D-04
     33 -0.302147D-04 -0.262527D-04 -0.955399D-04  0.275271D-04  0.193761D-04
     34  0.895708D-04  0.207130D-04 -0.104429D-04 -0.515912D-04 -0.740951D-05
     35  0.151131D-03  0.141070D-04  0.242540D-04 -0.193207D-04 -0.275896D-04
     36 -0.141000D-04  0.176577D-04  0.152535D-04  0.545179D-04 -0.503937D-04
     37 -0.242638D-04  0.152726D-04  0.119769D-03  0.333072D-04 -0.211134D-03
     38 -0.193239D-04 -0.544900D-04 -0.332932D-04  0.347119D-04 -0.269511D-04
     39  0.275940D-04 -0.504220D-04 -0.211154D-03  0.269791D-04 -0.339089D-04
               31            32            33            34            35 
     31  0.208653D+00
     32 -0.868670D-01  0.964924D-01
     33  0.112571D+00 -0.651130D-01  0.129778D+00
     34  0.241213D-02  0.238606D-01  0.292833D-02  0.515894D-01
     35 -0.542467D-03 -0.129582D-01 -0.118224D-02  0.221291D-01  0.326029D+00
     36  0.202494D-02  0.175904D-01  0.106170D-02 -0.219291D-03  0.186123D-01
     37  0.320060D-02 -0.776740D-02 -0.227588D-01 -0.784046D-03 -0.467802D-04
     38 -0.220872D-02  0.346164D-02  0.135228D-01  0.330563D-02 -0.736333D-02
     39  0.185251D-02 -0.466355D-02 -0.154522D-01 -0.318569D-03 -0.338776D-03
               36            37            38            39 
     36  0.469560D-01
     37 -0.236514D-02  0.550391D-01
     38 -0.305193D-01 -0.650505D-02  0.675365D-01
     39  0.112406D-03 -0.301504D-01  0.757942D-01  0.314279D+00
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.760442D+02 -0.158466D-04  0.262553D+00
      2  -0.158466D-04  0.777620D+02  0.125210D-03
      3   0.262553D+00  0.125210D-03  0.600113D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1  -0.248869D+01  0.304586D-03 -0.139550D+01
      2   0.472189D-04  0.311627D+01 -0.575840D-04
      3   0.370757D+01 -0.224964D-03 -0.156101D+01
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1  -0.337640D-03 -0.325315D+02  0.155247D-03
      2  -0.763457D-03  0.208360D+02 -0.209905D-02
      3   0.110110D-02  0.116956D+02  0.194380D-02
      4  -0.364826D+02 -0.119116D-02 -0.731745D+01
      5   0.237033D-03 -0.428241D+01  0.109869D-02
      6  -0.497629D+01 -0.256297D-02 -0.578160D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    39 ND12= 1 LenFil=    1407:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.434165D+01 -0.179014D+01  0.203381D+01 -0.291196D+01  0.744869D+01
      2  -0.179014D+01  0.229876D+01 -0.108715D+01  0.744869D+01 -0.935284D+01
      3   0.203381D+01 -0.108715D+01  0.224449D+01 -0.204684D+00  0.172052D+01
                 6             7             8             9            10 
      1  -0.204684D+00  0.406083D+01 -0.903754D+00  0.148914D+01 -0.434192D+01
      2   0.172052D+01 -0.903754D+00 -0.398235D+00  0.204120D+01 -0.179018D+01
      3  -0.371454D+00  0.148914D+01  0.204120D+01 -0.604847D+01 -0.203388D+01
                11            12            13            14            15 
      1  -0.179018D+01 -0.203388D+01 -0.291218D+01 -0.744889D+01 -0.204847D+00
      2  -0.229881D+01 -0.108721D+01 -0.744889D+01 -0.935292D+01 -0.172075D+01
      3  -0.108721D+01 -0.224447D+01 -0.204847D+00 -0.172075D+01 -0.371440D+00
                16            17            18            19            20 
      1  -0.406085D+01 -0.903651D+00 -0.148909D+01  0.774756D-05  0.884898D+01
      2  -0.903651D+00  0.398061D+00  0.204118D+01  0.884898D+01 -0.369538D-04
      3  -0.148909D+01  0.204118D+01  0.604856D+01  0.546139D-04  0.183516D+01
                21            22            23            24            25 
      1   0.546139D-04  0.791818D+01  0.657251D-04  0.868811D+00  0.742408D-04
      2   0.183516D+01  0.657251D-04  0.236054D+02  0.104466D-03  0.322102D+01
      3  -0.604563D-04  0.868811D+00  0.104466D-03  0.499497D+01 -0.143237D-05
                26            27            28            29            30 
      1   0.322102D+01 -0.143237D-05 -0.250911D+01 -0.136107D+01 -0.290367D+01
      2   0.764970D-04  0.624596D+01 -0.136107D+01 -0.126174D+01 -0.401114D+00
      3   0.624596D+01  0.757483D-04 -0.290367D+01 -0.401114D+00 -0.150860D+01
                31            32            33            34            35 
      1  -0.588607D+00 -0.472508D+01 -0.632978D+00 -0.354659D+01 -0.445606D+00
      2  -0.472508D+01  0.886647D+01 -0.262594D+00 -0.445606D+00 -0.915712D+00
      3  -0.632978D+00 -0.262594D+00 -0.221776D+01 -0.222207D+01 -0.171025D+01
                36            37            38            39            40 
      1  -0.222207D+01  0.250982D+01 -0.136098D+01  0.290351D+01 -0.589076D+00
      2  -0.171025D+01 -0.136098D+01  0.126266D+01 -0.401205D+00  0.472591D+01
      3   0.434071D+01  0.290351D+01 -0.401205D+00  0.150782D+01 -0.633012D+00
                41            42            43            44            45 
      1   0.472591D+01 -0.633012D+00  0.354669D+01 -0.445111D+00  0.222124D+01
      2   0.886593D+01  0.264175D+00 -0.445111D+00  0.917778D+00 -0.170960D+01
      3   0.264175D+00 -0.221705D+01  0.222124D+01 -0.170960D+01 -0.434208D+01
                46            47            48            49            50 
      1   0.183594D+00 -0.976252D+00  0.994248D+00 -0.741167D+00 -0.804173D-01
      2  -0.976252D+00 -0.210458D+00  0.184994D+00 -0.804173D-01 -0.374399D+00
      3   0.994248D+00  0.184994D+00 -0.902723D+00 -0.176708D+00  0.129873D+01
                51            52            53            54            55 
      1  -0.176708D+00  0.150458D+01 -0.448857D+00  0.106185D+00 -0.183590D+00
      2   0.129873D+01 -0.448857D+00  0.290500D+01 -0.315436D+01 -0.976244D+00
      3  -0.135755D+01  0.106185D+00 -0.315436D+01  0.756563D+01 -0.994275D+00
                56            57            58            59            60 
      1  -0.976244D+00 -0.994275D+00 -0.741183D+00  0.804061D-01 -0.176678D+00
      2   0.210496D+00  0.185022D+00  0.804061D-01 -0.374399D+00 -0.129875D+01
      3   0.185022D+00  0.902779D+00 -0.176678D+00 -0.129875D+01 -0.135764D+01
                61            62            63            64            65 
      1  -0.150454D+01 -0.448864D+00 -0.106160D+00  0.759263D+01  0.601795D+00
      2  -0.448864D+00 -0.290504D+01 -0.315437D+01  0.601795D+00  0.103963D+01
      3  -0.106160D+00 -0.315437D+01 -0.756566D+01  0.245023D+01  0.360943D+00
                66            67            68            69            70 
      1   0.245023D+01  0.287278D+01  0.163903D+01  0.816075D+00  0.406163D+01
      2   0.360943D+00  0.163903D+01  0.690123D-01  0.680311D+00  0.105766D+00
      3   0.186489D+01  0.816075D+00  0.680311D+00  0.111425D+01  0.235793D+01
                71            72            73            74            75 
      1   0.105766D+00  0.235793D+01  0.126215D+01 -0.133523D+01  0.450792D+00
      2   0.102444D+01  0.538258D+00 -0.133523D+01  0.812410D+00 -0.322790D-01
      3   0.538258D+00  0.173658D+01  0.450792D+00 -0.322790D-01  0.121288D+00
                76            77            78            79            80 
      1  -0.369529D+01  0.431941D+01  0.107259D+00  0.100947D+01 -0.306733D+00
      2   0.431941D+01 -0.107090D+02  0.183792D+00 -0.306733D+00  0.695198D+00
      3   0.107259D+00  0.183792D+00 -0.102648D+01  0.711072D+00 -0.113742D+01
                81            82            83            84            85 
      1   0.711072D+00  0.987674D+00  0.436394D+00 -0.792999D+00  0.110522D+01
      2  -0.113742D+01  0.436394D+00  0.247200D+00  0.569796D-01  0.560871D+00
      3   0.105409D-01 -0.792999D+00  0.569796D-01  0.939323D+00 -0.343328D+00
                86            87            88            89            90 
      1   0.560871D+00 -0.343328D+00 -0.228756D+01  0.388627D+00  0.212566D+01
      2  -0.301927D+00 -0.756426D+00  0.388627D+00 -0.122296D+01  0.299610D+00
      3  -0.756426D+00  0.136153D+01  0.212566D+01  0.299610D+00 -0.630155D+01
                91            92            93            94            95 
      1  -0.759290D+01  0.602228D+00 -0.244977D+01  0.287376D+01 -0.163941D+01
      2   0.602228D+00 -0.103994D+01  0.361102D+00 -0.163941D+01  0.694456D-01
      3  -0.244977D+01  0.361102D+00 -0.186443D+01  0.816217D+00 -0.680489D+00
                96            97            98            99           100 
      1   0.816217D+00 -0.406094D+01  0.105883D+00 -0.235743D+01 -0.126269D+01
      2  -0.680489D+00  0.105883D+00 -0.102457D+01  0.538338D+00 -0.133559D+01
      3   0.111434D+01 -0.235743D+01  0.538338D+00 -0.173578D+01 -0.450940D+00
               101           102           103           104           105 
      1  -0.133559D+01 -0.450940D+00 -0.369532D+01 -0.431976D+01  0.106933D+00
      2  -0.813049D+00 -0.323944D-01 -0.431976D+01 -0.107086D+02 -0.184847D+00
      3  -0.323944D-01 -0.121321D+00  0.106933D+00 -0.184847D+00 -0.102657D+01
               106           107           108           109           110 
      1  -0.101024D+01 -0.307483D+00 -0.711041D+00 -0.987310D+00  0.436291D+00
      2  -0.307483D+00 -0.696759D+00 -0.113753D+01  0.436291D+00 -0.247130D+00
      3  -0.711041D+00 -0.113753D+01 -0.109358D-01  0.792892D+00  0.571419D-01
               111           112           113           114           115 
      1   0.792892D+00  0.110485D+01 -0.560823D+00 -0.343059D+00  0.228744D+01
      2   0.571419D-01 -0.560823D+00 -0.302186D+00  0.756222D+00  0.388766D+00
      3  -0.938975D+00 -0.343059D+00  0.756222D+00  0.136084D+01 -0.212543D+01
               116           117 
      1   0.388766D+00 -0.212543D+01
      2   0.122273D+01  0.298969D+00
      3   0.298969D+00  0.630238D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.155073D+01  0.386541D+01 -0.716744D+00  0.322812D+00 -0.959948D+01
      2   0.150927D+01 -0.247479D+01  0.302944D+01  0.195315D+01 -0.295553D+01
      3   0.269750D+01 -0.795176D+01  0.262262D+01  0.159339D+01  0.589893D+00
                 6             7             8             9            10 
      1   0.176437D+01 -0.552219D+01  0.805674D+01 -0.211863D+01  0.155040D+01
      2   0.202637D+01 -0.762915D+01  0.838703D+01 -0.523446D+01  0.150884D+01
      3   0.100571D+01  0.652768D+00 -0.454719D+00 -0.234994D+01 -0.269663D+01
                11            12            13            14            15 
      1   0.386522D+01  0.716951D+00  0.322480D+00  0.959889D+01  0.176445D+01
      2   0.247498D+01  0.302965D+01 -0.195286D+01 -0.295499D+01 -0.202631D+01
      3  -0.795178D+01 -0.262246D+01  0.159407D+01 -0.589157D+00  0.100549D+01
                16            17            18            19            20 
      1   0.552239D+01  0.805675D+01  0.211876D+01  0.162554D-03 -0.792424D+01
      2  -0.762944D+01 -0.838686D+01 -0.523493D+01  0.438488D+01  0.671493D-04
      3  -0.652729D+00 -0.455065D+00  0.234962D+01 -0.196446D-03 -0.863769D+01
                21            22            23            24            25 
      1  -0.708520D-04 -0.451152D+01  0.418709D-04 -0.152924D+02  0.233258D-04
      2   0.706170D+01 -0.588178D-04  0.481587D+01  0.000000D+00 -0.952295D+01
      3  -0.899468D-04  0.183669D+02 -0.500142D-03  0.972477D+00 -0.242588D-03
                26            27            28            29            30 
      1   0.697952D+01  0.324858D-04 -0.151003D+01 -0.668126D+00 -0.207971D+01
      2  -0.728844D-04  0.202401D+00 -0.888532D+01 -0.145221D+00 -0.246717D+01
      3   0.369701D+01  0.272342D-05  0.897930D+01  0.124198D+01  0.356792D+01
                31            32            33            34            35 
      1  -0.485590D+00 -0.347471D+00 -0.370581D+01 -0.297621D+01  0.800475D+00
      2  -0.324428D+01  0.956918D+00 -0.595765D+01 -0.908151D+01 -0.287428D+01
      3   0.146315D+02 -0.162300D+02  0.145905D+01  0.410959D+01  0.180170D+01
                36            37            38            39            40 
      1   0.554310D+01  0.150974D+01 -0.667983D+00  0.207855D+01 -0.485057D+00
      2   0.933942D+01 -0.888397D+01  0.145763D+00 -0.246506D+01  0.324369D+01
      3   0.724538D+01 -0.898108D+01  0.124373D+01 -0.356856D+01  0.146341D+02
                41            42            43            44            45 
      1   0.349399D+00 -0.370460D+01  0.297461D+01  0.801121D+00 -0.554396D+01
      2   0.952601D+00  0.595608D+01 -0.907890D+01  0.287306D+01  0.934306D+01
      3   0.162278D+02  0.146340D+01 -0.410932D+01  0.180589D+01 -0.724255D+01
                46            47            48            49            50 
      1  -0.685592D+00  0.186297D+00 -0.367396D+00  0.488150D+00 -0.179186D+00
      2   0.179729D+01  0.131884D+01 -0.178429D+00  0.178881D+01  0.107824D+01
      3   0.500287D+00  0.532161D-01 -0.568616D+00  0.189841D+01  0.114497D+01
                51            52            53            54            55 
      1  -0.209781D+01 -0.969804D+00  0.285543D+01  0.243586D+01  0.685535D+00
      2  -0.222721D+01 -0.285349D+01 -0.337621D+01  0.646437D+01  0.179737D+01
      3  -0.156046D+01 -0.119445D+01 -0.199393D+01  0.227290D+01 -0.500284D+00
                56            57            58            59            60 
      1   0.186315D+00  0.367536D+00  0.488190D+00  0.179299D+00 -0.209780D+01
      2  -0.131884D+01 -0.178477D+00 -0.178887D+01  0.107822D+01  0.222731D+01
      3   0.533354D-01  0.568723D+00  0.189852D+01 -0.114496D+01 -0.156046D+01
                61            62            63            64            65 
      1   0.969784D+00  0.285540D+01 -0.243587D+01  0.195556D+01  0.678616D+00
      2  -0.285341D+01  0.337621D+01  0.646429D+01  0.477508D+01  0.889031D+00
      3   0.119441D+01 -0.199404D+01 -0.227286D+01 -0.962390D+01 -0.525194D+01
                66            67            68            69            70 
      1   0.130749D+01  0.842238D+00  0.496566D+00  0.656931D-01  0.113880D+01
      2   0.653281D+01  0.177721D+01  0.124283D+01  0.345200D+01  0.352507D+01
      3  -0.349584D+01 -0.485072D+01 -0.239760D+01 -0.249446D+01 -0.447994D+01
                71            72            73            74            75 
      1   0.178950D+01  0.920464D+00 -0.687386D-01 -0.191207D+00  0.839418D+00
      2   0.147188D+01  0.436721D+01  0.531261D+00 -0.195789D+00  0.156898D+01
      3  -0.332454D+01 -0.358597D+01  0.582480D+00 -0.205552D+01 -0.189254D+00
                76            77            78            79            80 
      1   0.764152D+00  0.306994D+00 -0.415213D+01  0.103997D+01 -0.588337D+00
      2   0.146261D+01 -0.105349D+01 -0.319297D+01  0.577118D+00 -0.188646D+01
      3  -0.283429D+01  0.207575D+02 -0.787476D+00 -0.560760D+00 -0.946978D+00
                81            82            83            84            85 
      1  -0.522478D+00 -0.894946D+00  0.910407D-01  0.100270D+01  0.257964D+00
      2  -0.564581D+00 -0.185390D+01  0.399591D+00  0.298632D+01  0.741932D+00
      3   0.913335D+00 -0.143660D+01 -0.115545D+01  0.820397D+00 -0.609171D+00
                86            87            88            89            90 
      1  -0.143708D+01  0.768830D+00  0.200440D+01  0.303490D+01 -0.649486D+01
      2  -0.167691D+01  0.319072D+01  0.121064D+01  0.124349D+01 -0.145391D+02
      3  -0.688559D+00  0.195739D+01  0.163366D+01  0.307001D+01 -0.372185D+01
                91            92            93            94            95 
      1  -0.195480D+01  0.678601D+00 -0.130685D+01  0.842187D+00 -0.496652D+00
      2   0.477391D+01 -0.889488D+00  0.653167D+01 -0.177739D+01  0.124328D+01
      3   0.962561D+01 -0.525294D+01  0.349580D+01 -0.485276D+01  0.239921D+01
                96            97            98            99           100 
      1   0.655047D-01 -0.113818D+01  0.178934D+01 -0.919722D+00  0.687056D-01
      2  -0.345245D+01  0.352400D+01 -0.147198D+01  0.436501D+01  0.531397D+00
      3  -0.249531D+01  0.447983D+01 -0.332472D+01  0.358559D+01 -0.582442D+00
               101           102           103           104           105 
      1  -0.191256D+00 -0.839532D+00  0.763686D+00 -0.307821D+00 -0.415229D+01
      2   0.195894D+00  0.156900D+01 -0.146209D+01 -0.105085D+01  0.319321D+01
      3  -0.205675D+01  0.189158D+00 -0.283518D+01 -0.207564D+02 -0.789695D+00
               106           107           108           109           110 
      1  -0.103965D+01 -0.588501D+00  0.521602D+00  0.894722D+00  0.913209D-01
      2   0.576451D+00  0.188633D+01 -0.563632D+00 -0.185393D+01 -0.399981D+00
      3   0.560520D+00 -0.949803D+00 -0.913753D+00  0.143596D+01 -0.115531D+01
               111           112           113           114           115 
      1  -0.100233D+01  0.258147D+00  0.143644D+01  0.768081D+00 -0.200395D+01
      2   0.298544D+01 -0.741857D+00 -0.167619D+01 -0.318908D+01  0.120976D+01
      3  -0.819861D+00 -0.609048D+00  0.687765D+00  0.195637D+01 -0.163333D+01
               116           117 
      1   0.303455D+01  0.649576D+01
      2  -0.124214D+01 -0.145411D+02
      3   0.306918D+01  0.372009D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.164986D+01 -0.602791D+01  0.283540D+01 -0.266583D+01  0.109389D+02
      2  -0.296475D+01  0.828789D+01 -0.504686D+01  0.520656D+01 -0.731968D+01
      3   0.131490D+01 -0.225998D+01  0.221146D+01 -0.254073D+01 -0.361917D+01
      4  -0.347561D+01  0.971330D+00 -0.176156D+01 -0.106557D+01 -0.291566D+01
      5   0.454084D+01 -0.181285D+01 -0.333361D-01  0.372879D-01 -0.290501D+01
      6  -0.141326D+01 -0.184708D+01  0.266764D+01  0.337373D+00  0.372322D+01
                 6             7             8             9            10 
      1  -0.616006D+01  0.191332D+01 -0.443838D+01  0.815129D+01  0.165163D+01
      2   0.459619D+01 -0.262939D+01  0.230283D+01 -0.515412D+00 -0.296654D+01
      3   0.156387D+01  0.716068D+00  0.213555D+01 -0.763588D+01  0.131492D+01
      4   0.726951D+00 -0.455578D+00 -0.111870D+01 -0.293990D+01  0.347563D+01
      5   0.684756D+01  0.476738D+01  0.185550D+00 -0.610992D+01  0.454067D+01
      6  -0.918300D+01 -0.231417D+01 -0.575892D+00  0.696009D+01  0.141357D+01
                11            12            13            14            15 
      1   0.602898D+01  0.283586D+01  0.266669D+01  0.109411D+02  0.616045D+01
      2  -0.828825D+01 -0.504744D+01 -0.520672D+01 -0.732110D+01 -0.459627D+01
      3   0.225928D+01  0.221158D+01  0.254003D+01 -0.362002D+01 -0.156418D+01
      4   0.971543D+00  0.176138D+01 -0.106537D+01  0.291615D+01  0.727547D+00
      5   0.181369D+01 -0.330028D-01 -0.364080D-01 -0.290314D+01 -0.684730D+01
      6  -0.184672D+01 -0.266764D+01  0.337920D+00 -0.372292D+01 -0.918328D+01
                16            17            18            19            20 
      1   0.191321D+01  0.443791D+01  0.815029D+01  0.572514D+01 -0.277738D-03
      2  -0.262938D+01 -0.230240D+01 -0.514891D+00  0.641897D+01  0.156233D-03
      3   0.716178D+00 -0.213551D+01 -0.763540D+01 -0.121441D+02  0.121505D-03
      4   0.455633D+00 -0.111819D+01  0.294043D+01 -0.162974D-04  0.325482D+02
      5   0.476622D+01 -0.185376D+00 -0.611036D+01 -0.248799D+01 -0.216635D-03
      6   0.231427D+01 -0.575820D+00 -0.696065D+01 -0.134436D-03  0.742889D+01
                21            22            23            24            25 
      1  -0.659244D+01 -0.529753D-03 -0.532940D+02 -0.310751D-03 -0.281695D+01
      2   0.792450D+01  0.322327D-03  0.793897D+02  0.371767D-03  0.732358D+01
      3  -0.133205D+01  0.207427D-03 -0.260957D+02 -0.610161D-04 -0.450663D+01
      4   0.763010D-04  0.237141D+02 -0.845829D-04 -0.204802D+00 -0.786723D-04
      5   0.169692D+02 -0.488937D-03  0.413926D+01 -0.271735D-04  0.144845D+02
      6  -0.733398D-04  0.176451D+01 -0.133050D-03  0.318381D+02 -0.799565D-04
                26            27            28            29            30 
      1  -0.261824D-03 -0.213935D+02 -0.121026D+02 -0.107980D+02 -0.147415D+02
      2   0.271056D-03  0.127113D+01  0.964434D+01  0.903484D+01  0.856868D+01
      3  -0.923177D-05  0.201224D+02  0.245826D+01  0.176319D+01  0.617285D+01
      4   0.312188D+01 -0.202635D-03 -0.972562D+01 -0.187343D+01  0.250576D-01
      5  -0.329995D-03 -0.226393D+01 -0.178012D+02 -0.161380D+01 -0.833473D+01
      6   0.324423D+02  0.122452D-04  0.321038D+01 -0.457159D+00  0.200658D+01
                31            32            33            34            35 
      1  -0.165011D+02  0.409266D+01 -0.583456D+01 -0.181386D+02 -0.245068D+01
      2   0.170689D+02 -0.192932D+02  0.256276D+01  0.813067D+01  0.161564D+01
      3  -0.567785D+00  0.152006D+02  0.327180D+01  0.100079D+02  0.835038D+00
      4  -0.109094D+02  0.293256D+02 -0.241443D+01  0.235405D+00 -0.301064D+01
      5  -0.318284D+01 -0.277125D+01 -0.110720D+02 -0.116110D+02 -0.737231D+01
      6   0.130654D-02  0.129888D+01  0.324824D+01  0.145407D+01  0.383863D+01
                36            37            38            39            40 
      1  -0.850228D+01 -0.121060D+02  0.107997D+02 -0.147406D+02  0.165047D+02
      2   0.131161D+02  0.964592D+01 -0.903728D+01  0.856839D+01 -0.170718D+02
      3  -0.461378D+01  0.246010D+01 -0.176244D+01  0.617223D+01  0.567111D+00
      4  -0.641553D+01  0.972750D+01 -0.187674D+01 -0.233990D-01 -0.109140D+02
      5   0.174127D+02 -0.177995D+02  0.161420D+01 -0.833022D+01  0.318282D+01
      6  -0.626056D+01 -0.320989D+01 -0.457574D+00 -0.200563D+01 -0.116978D-02
                41            42            43            44            45 
      1   0.408632D+01  0.583793D+01 -0.181372D+02  0.245343D+01 -0.849516D+01
      2  -0.192893D+02 -0.256829D+01  0.812876D+01 -0.162201D+01  0.131121D+02
      3   0.152030D+02 -0.326964D+01  0.100084D+02 -0.831424D+00 -0.461693D+01
      4  -0.293255D+02 -0.242104D+01 -0.234905D+00 -0.301788D+01  0.641286D+01
      5  -0.277907D+01  0.110683D+02 -0.116053D+02  0.736922D+01  0.174186D+02
      6  -0.130483D+01  0.324742D+01 -0.145373D+01  0.383750D+01  0.626417D+01
                46            47            48            49            50 
      1   0.864440D+00 -0.149937D+01  0.290150D+01 -0.111760D+01 -0.622299D+01
      2  -0.272339D+01  0.297319D+00 -0.331597D+00  0.115291D+01  0.195714D+01
      3   0.185895D+01  0.120205D+01 -0.256990D+01 -0.353135D-01  0.426585D+01
      4  -0.478556D+00  0.324330D+01 -0.210637D+01  0.309313D+01 -0.287656D+00
      5   0.246978D+00 -0.185790D+01  0.511922D+01 -0.162315D+01  0.202028D+01
      6  -0.190694D+01 -0.182494D+01  0.113302D+01 -0.486088D+00 -0.565542D+01
                51            52            53            54            55 
      1   0.469471D+01  0.167992D+01  0.543406D+01 -0.169293D+02  0.864630D+00
      2  -0.488202D+00 -0.155008D+01  0.285858D+01 -0.100304D+02 -0.272334D+01
      3  -0.420651D+01 -0.129838D+00 -0.829264D+01  0.269597D+02  0.185871D+01
      4   0.407237D+00 -0.297161D+01  0.959073D+00  0.568007D+00  0.478421D+00
      5  -0.239559D+01  0.339737D+01 -0.276258D+01  0.751404D+01  0.247098D+00
      6   0.103941D+02 -0.175105D+00  0.849120D+01 -0.140923D+02  0.190709D+01
                56            57            58            59            60 
      1   0.149945D+01  0.290166D+01  0.111760D+01 -0.622309D+01 -0.469484D+01
      2  -0.297422D+00 -0.331573D+00 -0.115326D+01  0.195695D+01  0.488236D+00
      3  -0.120203D+01 -0.257009D+01  0.356562D-01  0.426614D+01  0.420661D+01
      4   0.324329D+01  0.210649D+01  0.309290D+01  0.287352D+00  0.407162D+00
      5   0.185798D+01  0.511910D+01  0.162288D+01  0.202010D+01  0.239576D+01
      6  -0.182502D+01 -0.113320D+01 -0.486107D+00  0.565554D+01  0.103943D+02
                61            62            63            64            65 
      1   0.167979D+01 -0.543390D+01 -0.169290D+02  0.461976D+02  0.627878D+01
      2  -0.154986D+01 -0.285867D+01 -0.100305D+02 -0.276382D+02 -0.514260D+01
      3  -0.129936D+00  0.829257D+01  0.269596D+02 -0.185594D+02 -0.113619D+01
      4   0.297176D+01  0.959164D+00 -0.568203D+00  0.134893D+01  0.722126D+01
      5   0.339748D+01  0.276252D+01  0.751382D+01  0.168604D+02  0.219987D+01
      6   0.174953D+00  0.849120D+01  0.140926D+02 -0.181435D+01  0.292205D+00
                66            67            68            69            70 
      1   0.139132D+02  0.166428D+02  0.491602D+01  0.439379D+01  0.198959D+02
      2  -0.913767D+01 -0.108795D+02 -0.886971D+00 -0.349294D+01 -0.134201D+02
      3  -0.477550D+01 -0.576332D+01 -0.402905D+01 -0.900843D+00 -0.647578D+01
      4   0.993297D+00  0.915323D+01  0.279684D+01  0.401569D+01 -0.203765D+00
      5   0.134015D+02  0.565231D+01  0.386880D+01  0.671121D+01  0.158846D+02
      6  -0.228639D+01  0.598942D+00  0.904122D+00  0.686931D+00 -0.146267D+01
                71            72            73            74            75 
      1   0.153404D+01  0.937175D+01  0.569429D+01 -0.476913D+01  0.204381D+01
      2  -0.218756D+01 -0.101879D+02  0.748661D+00 -0.680184D+00 -0.104443D+01
      3   0.653516D+00  0.816193D+00 -0.644295D+01  0.544931D+01 -0.999378D+00
      4   0.517477D+01  0.214692D+01 -0.824603D+01  0.113385D+02  0.418730D-01
      5   0.289372D+01  0.116799D+02  0.174675D+01  0.137203D+00  0.261764D+01
      6   0.130445D+01 -0.608327D+00 -0.233819D+00 -0.422172D-01 -0.914353D+00
                76            77            78            79            80 
      1  -0.636944D+01 -0.122363D+02  0.111767D+01  0.349160D+01  0.219157D+00
      2  -0.597862D+01  0.367169D+02 -0.157954D+01 -0.175624D+01 -0.100298D+01
      3   0.123481D+02 -0.244806D+02  0.461873D+00 -0.173536D+01  0.783819D+00
      4   0.232660D+02 -0.442740D+02  0.900890D+00 -0.100616D+01  0.194540D+01
      5   0.821253D+00  0.776038D+00 -0.551485D+01  0.464811D+01 -0.491412D+01
      6  -0.609289D+00  0.532815D+00  0.704284D+01 -0.278712D+01  0.688420D+01
                81            82            83            84            85 
      1  -0.599228D+00  0.552965D+01  0.183458D+01 -0.348122D+01  0.537517D+01
      2   0.156610D+01 -0.562391D+01 -0.143785D+01  0.294218D+01 -0.428783D+01
      3  -0.966871D+00  0.942634D-01 -0.396731D+00  0.539036D+00 -0.108735D+01
      4  -0.411488D+01  0.137810D+01  0.170595D+01  0.118879D+00  0.262782D+01
      5  -0.489240D+00 -0.421835D+01 -0.387780D+00  0.875062D+01 -0.209344D+01
      6  -0.309161D+00  0.355871D+00  0.164746D+00 -0.104740D+01 -0.593407D+00
                86            87            88            89            90 
      1  -0.762702D+00  0.103871D+00 -0.752137D+01  0.121778D+00 -0.799273D+00
      2   0.973050D+00  0.266389D+01  0.747598D+01  0.215435D+01 -0.145877D+02
      3  -0.210348D+00 -0.276776D+01  0.453875D-01 -0.227613D+01  0.153870D+02
      4  -0.384045D+00 -0.340281D+01  0.248210D+01 -0.551092D+01  0.233847D+01
      5  -0.305898D+01  0.635400D+01  0.136936D+02  0.186654D+01 -0.287442D+02
      6  -0.764307D+00  0.189755D+01 -0.232407D+01  0.271722D+01  0.761108D+01
                91            92            93            94            95 
      1   0.461995D+02 -0.628203D+01  0.139108D+02 -0.166484D+02  0.491832D+01
      2  -0.276392D+02  0.514455D+01 -0.913608D+01  0.108827D+02 -0.888081D+00
      3  -0.185603D+02  0.113748D+01 -0.477470D+01  0.576565D+01 -0.403024D+01
      4  -0.135340D+01  0.722214D+01 -0.994678D+00  0.915531D+01 -0.279945D+01
      5   0.168566D+02 -0.220084D+01  0.133986D+02 -0.565289D+01  0.386954D+01
      6   0.181322D+01  0.291848D+00  0.228543D+01  0.598885D+00 -0.903683D+00
                96            97            98            99           100 
      1  -0.439486D+01  0.198926D+02 -0.153486D+01  0.936964D+01  0.569638D+01
      2   0.349387D+01 -0.134176D+02  0.218845D+01 -0.101857D+02  0.748007D+00
      3   0.900992D+00 -0.647503D+01 -0.653590D+00  0.816050D+00 -0.644439D+01
      4   0.401637D+01  0.201957D+00  0.517474D+01 -0.214802D+01  0.824821D+01
      5  -0.671197D+01  0.158812D+02 -0.289437D+01  0.116751D+02  0.174761D+01
      6   0.686693D+00  0.146135D+01  0.130429D+01  0.606572D+00  0.234838D+00
               101           102           103           104           105 
      1   0.476936D+01  0.204440D+01  0.636951D+01 -0.122327D+02 -0.111936D+01
      2   0.681394D+00 -0.104438D+01  0.597950D+01  0.367140D+02  0.158259D+01
      3  -0.545075D+01 -0.100001D+01 -0.123490D+02 -0.244813D+02 -0.463226D+00
      4   0.113409D+02 -0.406747D-01  0.232682D+02  0.442747D+02  0.905336D+00
      5  -0.136012D+00  0.261761D+01 -0.819065D+00  0.781006D+00  0.551555D+01
      6  -0.417011D-01  0.914724D+00 -0.607131D+00 -0.527016D+00  0.704284D+01
               106           107           108           109           110 
      1   0.349309D+01 -0.220520D+00 -0.599809D+00  0.552765D+01 -0.183414D+01
      2  -0.175637D+01  0.100645D+01  0.156653D+01 -0.562266D+01  0.143744D+01
      3  -0.173673D+01 -0.785931D+00 -0.966725D+00  0.950160D-01  0.396697D+00
      4   0.100920D+01  0.195146D+01  0.411576D+01 -0.137758D+01  0.170575D+01
      5   0.464775D+01  0.491497D+01 -0.487288D+00 -0.421724D+01  0.386577D+00
      6   0.278740D+01  0.688436D+01  0.311600D+00 -0.356572D+00  0.164729D+00
               111           112           113           114           115 
      1  -0.348070D+01 -0.537361D+01 -0.762828D+00 -0.104503D+00 -0.752032D+01
      2   0.294125D+01  0.428679D+01  0.973206D+00 -0.266249D+01  0.747494D+01
      3   0.539446D+00  0.108681D+01 -0.210378D+00  0.276700D+01  0.453789D-01
      4  -0.120246D+00  0.262778D+01  0.385744D+00 -0.340156D+01 -0.248396D+01
      5   0.874919D+01  0.209173D+01 -0.305758D+01 -0.635063D+01  0.136923D+02
      6   0.104729D+01 -0.593187D+00  0.763861D+00  0.189854D+01  0.232487D+01
               116           117 
      1  -0.121862D+00 -0.802970D+00
      2  -0.215305D+01 -0.145869D+02
      3   0.227491D+01  0.153898D+02
      4  -0.551016D+01 -0.233572D+01
      5  -0.186344D+01 -0.287467D+02
      6   0.271838D+01 -0.761501D+01
 Leave Link  716 at Sat Jul 24 16:54:31 2021, MaxMem= 16106127360 cpu:               0.6 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.760442D+02 -0.158466D-04  0.262553D+00
      2  -0.158466D-04  0.777620D+02  0.125210D-03
      3   0.262553D+00  0.125210D-03  0.600113D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1  -0.248869D+01  0.304586D-03 -0.139550D+01
      2   0.472189D-04  0.311627D+01 -0.575840D-04
      3   0.370757D+01 -0.224964D-03 -0.156101D+01
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1  -0.337640D-03 -0.325315D+02  0.155247D-03
      2  -0.763457D-03  0.208360D+02 -0.209905D-02
      3   0.110110D-02  0.116956D+02  0.194380D-02
      4  -0.364826D+02 -0.119116D-02 -0.731745D+01
      5   0.237033D-03 -0.428241D+01  0.109869D-02
      6  -0.497629D+01 -0.256297D-02 -0.578160D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    39 ND12= 1 LenFil=    1407:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.434165D+01 -0.179014D+01  0.203381D+01 -0.291196D+01  0.744869D+01
      2  -0.179014D+01  0.229876D+01 -0.108715D+01  0.744869D+01 -0.935284D+01
      3   0.203381D+01 -0.108715D+01  0.224449D+01 -0.204684D+00  0.172052D+01
                 6             7             8             9            10 
      1  -0.204684D+00  0.406083D+01 -0.903754D+00  0.148914D+01 -0.434192D+01
      2   0.172052D+01 -0.903754D+00 -0.398235D+00  0.204120D+01 -0.179018D+01
      3  -0.371454D+00  0.148914D+01  0.204120D+01 -0.604847D+01 -0.203388D+01
                11            12            13            14            15 
      1  -0.179018D+01 -0.203388D+01 -0.291218D+01 -0.744889D+01 -0.204847D+00
      2  -0.229881D+01 -0.108721D+01 -0.744889D+01 -0.935292D+01 -0.172075D+01
      3  -0.108721D+01 -0.224447D+01 -0.204847D+00 -0.172075D+01 -0.371440D+00
                16            17            18            19            20 
      1  -0.406085D+01 -0.903651D+00 -0.148909D+01  0.774756D-05  0.884898D+01
      2  -0.903651D+00  0.398061D+00  0.204118D+01  0.884898D+01 -0.369538D-04
      3  -0.148909D+01  0.204118D+01  0.604856D+01  0.546139D-04  0.183516D+01
                21            22            23            24            25 
      1   0.546139D-04  0.791818D+01  0.657251D-04  0.868811D+00  0.742408D-04
      2   0.183516D+01  0.657251D-04  0.236054D+02  0.104466D-03  0.322102D+01
      3  -0.604563D-04  0.868811D+00  0.104466D-03  0.499497D+01 -0.143237D-05
                26            27            28            29            30 
      1   0.322102D+01 -0.143237D-05 -0.250911D+01 -0.136107D+01 -0.290367D+01
      2   0.764970D-04  0.624596D+01 -0.136107D+01 -0.126174D+01 -0.401114D+00
      3   0.624596D+01  0.757483D-04 -0.290367D+01 -0.401114D+00 -0.150860D+01
                31            32            33            34            35 
      1  -0.588607D+00 -0.472508D+01 -0.632978D+00 -0.354659D+01 -0.445606D+00
      2  -0.472508D+01  0.886647D+01 -0.262594D+00 -0.445606D+00 -0.915712D+00
      3  -0.632978D+00 -0.262594D+00 -0.221776D+01 -0.222207D+01 -0.171025D+01
                36            37            38            39            40 
      1  -0.222207D+01  0.250982D+01 -0.136098D+01  0.290351D+01 -0.589076D+00
      2  -0.171025D+01 -0.136098D+01  0.126266D+01 -0.401205D+00  0.472591D+01
      3   0.434071D+01  0.290351D+01 -0.401205D+00  0.150782D+01 -0.633012D+00
                41            42            43            44            45 
      1   0.472591D+01 -0.633012D+00  0.354669D+01 -0.445111D+00  0.222124D+01
      2   0.886593D+01  0.264175D+00 -0.445111D+00  0.917778D+00 -0.170960D+01
      3   0.264175D+00 -0.221705D+01  0.222124D+01 -0.170960D+01 -0.434208D+01
                46            47            48            49            50 
      1   0.183594D+00 -0.976252D+00  0.994248D+00 -0.741167D+00 -0.804173D-01
      2  -0.976252D+00 -0.210458D+00  0.184994D+00 -0.804173D-01 -0.374399D+00
      3   0.994248D+00  0.184994D+00 -0.902723D+00 -0.176708D+00  0.129873D+01
                51            52            53            54            55 
      1  -0.176708D+00  0.150458D+01 -0.448857D+00  0.106185D+00 -0.183590D+00
      2   0.129873D+01 -0.448857D+00  0.290500D+01 -0.315436D+01 -0.976244D+00
      3  -0.135755D+01  0.106185D+00 -0.315436D+01  0.756563D+01 -0.994275D+00
                56            57            58            59            60 
      1  -0.976244D+00 -0.994275D+00 -0.741183D+00  0.804061D-01 -0.176678D+00
      2   0.210496D+00  0.185022D+00  0.804061D-01 -0.374399D+00 -0.129875D+01
      3   0.185022D+00  0.902779D+00 -0.176678D+00 -0.129875D+01 -0.135764D+01
                61            62            63            64            65 
      1  -0.150454D+01 -0.448864D+00 -0.106160D+00  0.759263D+01  0.601795D+00
      2  -0.448864D+00 -0.290504D+01 -0.315437D+01  0.601795D+00  0.103963D+01
      3  -0.106160D+00 -0.315437D+01 -0.756566D+01  0.245023D+01  0.360943D+00
                66            67            68            69            70 
      1   0.245023D+01  0.287278D+01  0.163903D+01  0.816075D+00  0.406163D+01
      2   0.360943D+00  0.163903D+01  0.690123D-01  0.680311D+00  0.105766D+00
      3   0.186489D+01  0.816075D+00  0.680311D+00  0.111425D+01  0.235793D+01
                71            72            73            74            75 
      1   0.105766D+00  0.235793D+01  0.126215D+01 -0.133523D+01  0.450792D+00
      2   0.102444D+01  0.538258D+00 -0.133523D+01  0.812410D+00 -0.322790D-01
      3   0.538258D+00  0.173658D+01  0.450792D+00 -0.322790D-01  0.121288D+00
                76            77            78            79            80 
      1  -0.369529D+01  0.431941D+01  0.107259D+00  0.100947D+01 -0.306733D+00
      2   0.431941D+01 -0.107090D+02  0.183792D+00 -0.306733D+00  0.695198D+00
      3   0.107259D+00  0.183792D+00 -0.102648D+01  0.711072D+00 -0.113742D+01
                81            82            83            84            85 
      1   0.711072D+00  0.987674D+00  0.436394D+00 -0.792999D+00  0.110522D+01
      2  -0.113742D+01  0.436394D+00  0.247200D+00  0.569796D-01  0.560871D+00
      3   0.105409D-01 -0.792999D+00  0.569796D-01  0.939323D+00 -0.343328D+00
                86            87            88            89            90 
      1   0.560871D+00 -0.343328D+00 -0.228756D+01  0.388627D+00  0.212566D+01
      2  -0.301927D+00 -0.756426D+00  0.388627D+00 -0.122296D+01  0.299610D+00
      3  -0.756426D+00  0.136153D+01  0.212566D+01  0.299610D+00 -0.630155D+01
                91            92            93            94            95 
      1  -0.759290D+01  0.602228D+00 -0.244977D+01  0.287376D+01 -0.163941D+01
      2   0.602228D+00 -0.103994D+01  0.361102D+00 -0.163941D+01  0.694456D-01
      3  -0.244977D+01  0.361102D+00 -0.186443D+01  0.816217D+00 -0.680489D+00
                96            97            98            99           100 
      1   0.816217D+00 -0.406094D+01  0.105883D+00 -0.235743D+01 -0.126269D+01
      2  -0.680489D+00  0.105883D+00 -0.102457D+01  0.538338D+00 -0.133559D+01
      3   0.111434D+01 -0.235743D+01  0.538338D+00 -0.173578D+01 -0.450940D+00
               101           102           103           104           105 
      1  -0.133559D+01 -0.450940D+00 -0.369532D+01 -0.431976D+01  0.106933D+00
      2  -0.813049D+00 -0.323944D-01 -0.431976D+01 -0.107086D+02 -0.184847D+00
      3  -0.323944D-01 -0.121321D+00  0.106933D+00 -0.184847D+00 -0.102657D+01
               106           107           108           109           110 
      1  -0.101024D+01 -0.307483D+00 -0.711041D+00 -0.987310D+00  0.436291D+00
      2  -0.307483D+00 -0.696759D+00 -0.113753D+01  0.436291D+00 -0.247130D+00
      3  -0.711041D+00 -0.113753D+01 -0.109358D-01  0.792892D+00  0.571419D-01
               111           112           113           114           115 
      1   0.792892D+00  0.110485D+01 -0.560823D+00 -0.343059D+00  0.228744D+01
      2   0.571419D-01 -0.560823D+00 -0.302186D+00  0.756222D+00  0.388766D+00
      3  -0.938975D+00 -0.343059D+00  0.756222D+00  0.136084D+01 -0.212543D+01
               116           117 
      1   0.388766D+00 -0.212543D+01
      2   0.122273D+01  0.298969D+00
      3   0.298969D+00  0.630238D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.155073D+01  0.386541D+01 -0.716744D+00  0.322812D+00 -0.959948D+01
      2   0.150927D+01 -0.247479D+01  0.302944D+01  0.195315D+01 -0.295553D+01
      3   0.269750D+01 -0.795176D+01  0.262262D+01  0.159339D+01  0.589893D+00
                 6             7             8             9            10 
      1   0.176437D+01 -0.552219D+01  0.805674D+01 -0.211863D+01  0.155040D+01
      2   0.202637D+01 -0.762915D+01  0.838703D+01 -0.523446D+01  0.150884D+01
      3   0.100571D+01  0.652768D+00 -0.454719D+00 -0.234994D+01 -0.269663D+01
                11            12            13            14            15 
      1   0.386522D+01  0.716951D+00  0.322480D+00  0.959889D+01  0.176445D+01
      2   0.247498D+01  0.302965D+01 -0.195286D+01 -0.295499D+01 -0.202631D+01
      3  -0.795178D+01 -0.262246D+01  0.159407D+01 -0.589157D+00  0.100549D+01
                16            17            18            19            20 
      1   0.552239D+01  0.805675D+01  0.211876D+01  0.162554D-03 -0.792424D+01
      2  -0.762944D+01 -0.838686D+01 -0.523493D+01  0.438488D+01  0.671493D-04
      3  -0.652729D+00 -0.455065D+00  0.234962D+01 -0.196446D-03 -0.863769D+01
                21            22            23            24            25 
      1  -0.708520D-04 -0.451152D+01  0.418709D-04 -0.152924D+02  0.233258D-04
      2   0.706170D+01 -0.588178D-04  0.481587D+01  0.000000D+00 -0.952295D+01
      3  -0.899468D-04  0.183669D+02 -0.500142D-03  0.972477D+00 -0.242588D-03
                26            27            28            29            30 
      1   0.697952D+01  0.324858D-04 -0.151003D+01 -0.668126D+00 -0.207971D+01
      2  -0.728844D-04  0.202401D+00 -0.888532D+01 -0.145221D+00 -0.246717D+01
      3   0.369701D+01  0.272342D-05  0.897930D+01  0.124198D+01  0.356792D+01
                31            32            33            34            35 
      1  -0.485590D+00 -0.347471D+00 -0.370581D+01 -0.297621D+01  0.800475D+00
      2  -0.324428D+01  0.956918D+00 -0.595765D+01 -0.908151D+01 -0.287428D+01
      3   0.146315D+02 -0.162300D+02  0.145905D+01  0.410959D+01  0.180170D+01
                36            37            38            39            40 
      1   0.554310D+01  0.150974D+01 -0.667983D+00  0.207855D+01 -0.485057D+00
      2   0.933942D+01 -0.888397D+01  0.145763D+00 -0.246506D+01  0.324369D+01
      3   0.724538D+01 -0.898108D+01  0.124373D+01 -0.356856D+01  0.146341D+02
                41            42            43            44            45 
      1   0.349399D+00 -0.370460D+01  0.297461D+01  0.801121D+00 -0.554396D+01
      2   0.952601D+00  0.595608D+01 -0.907890D+01  0.287306D+01  0.934306D+01
      3   0.162278D+02  0.146340D+01 -0.410932D+01  0.180589D+01 -0.724255D+01
                46            47            48            49            50 
      1  -0.685592D+00  0.186297D+00 -0.367396D+00  0.488150D+00 -0.179186D+00
      2   0.179729D+01  0.131884D+01 -0.178429D+00  0.178881D+01  0.107824D+01
      3   0.500287D+00  0.532161D-01 -0.568616D+00  0.189841D+01  0.114497D+01
                51            52            53            54            55 
      1  -0.209781D+01 -0.969804D+00  0.285543D+01  0.243586D+01  0.685535D+00
      2  -0.222721D+01 -0.285349D+01 -0.337621D+01  0.646437D+01  0.179737D+01
      3  -0.156046D+01 -0.119445D+01 -0.199393D+01  0.227290D+01 -0.500284D+00
                56            57            58            59            60 
      1   0.186315D+00  0.367536D+00  0.488190D+00  0.179299D+00 -0.209780D+01
      2  -0.131884D+01 -0.178477D+00 -0.178887D+01  0.107822D+01  0.222731D+01
      3   0.533354D-01  0.568723D+00  0.189852D+01 -0.114496D+01 -0.156046D+01
                61            62            63            64            65 
      1   0.969784D+00  0.285540D+01 -0.243587D+01  0.195556D+01  0.678616D+00
      2  -0.285341D+01  0.337621D+01  0.646429D+01  0.477508D+01  0.889031D+00
      3   0.119441D+01 -0.199404D+01 -0.227286D+01 -0.962390D+01 -0.525194D+01
                66            67            68            69            70 
      1   0.130749D+01  0.842238D+00  0.496566D+00  0.656931D-01  0.113880D+01
      2   0.653281D+01  0.177721D+01  0.124283D+01  0.345200D+01  0.352507D+01
      3  -0.349584D+01 -0.485072D+01 -0.239760D+01 -0.249446D+01 -0.447994D+01
                71            72            73            74            75 
      1   0.178950D+01  0.920464D+00 -0.687386D-01 -0.191207D+00  0.839418D+00
      2   0.147188D+01  0.436721D+01  0.531261D+00 -0.195789D+00  0.156898D+01
      3  -0.332454D+01 -0.358597D+01  0.582480D+00 -0.205552D+01 -0.189254D+00
                76            77            78            79            80 
      1   0.764152D+00  0.306994D+00 -0.415213D+01  0.103997D+01 -0.588337D+00
      2   0.146261D+01 -0.105349D+01 -0.319297D+01  0.577118D+00 -0.188646D+01
      3  -0.283429D+01  0.207575D+02 -0.787476D+00 -0.560760D+00 -0.946978D+00
                81            82            83            84            85 
      1  -0.522478D+00 -0.894946D+00  0.910407D-01  0.100270D+01  0.257964D+00
      2  -0.564581D+00 -0.185390D+01  0.399591D+00  0.298632D+01  0.741932D+00
      3   0.913335D+00 -0.143660D+01 -0.115545D+01  0.820397D+00 -0.609171D+00
                86            87            88            89            90 
      1  -0.143708D+01  0.768830D+00  0.200440D+01  0.303490D+01 -0.649486D+01
      2  -0.167691D+01  0.319072D+01  0.121064D+01  0.124349D+01 -0.145391D+02
      3  -0.688559D+00  0.195739D+01  0.163366D+01  0.307001D+01 -0.372185D+01
                91            92            93            94            95 
      1  -0.195480D+01  0.678601D+00 -0.130685D+01  0.842187D+00 -0.496652D+00
      2   0.477391D+01 -0.889488D+00  0.653167D+01 -0.177739D+01  0.124328D+01
      3   0.962561D+01 -0.525294D+01  0.349580D+01 -0.485276D+01  0.239921D+01
                96            97            98            99           100 
      1   0.655047D-01 -0.113818D+01  0.178934D+01 -0.919722D+00  0.687056D-01
      2  -0.345245D+01  0.352400D+01 -0.147198D+01  0.436501D+01  0.531397D+00
      3  -0.249531D+01  0.447983D+01 -0.332472D+01  0.358559D+01 -0.582442D+00
               101           102           103           104           105 
      1  -0.191256D+00 -0.839532D+00  0.763686D+00 -0.307821D+00 -0.415229D+01
      2   0.195894D+00  0.156900D+01 -0.146209D+01 -0.105085D+01  0.319321D+01
      3  -0.205675D+01  0.189158D+00 -0.283518D+01 -0.207564D+02 -0.789695D+00
               106           107           108           109           110 
      1  -0.103965D+01 -0.588501D+00  0.521602D+00  0.894722D+00  0.913209D-01
      2   0.576451D+00  0.188633D+01 -0.563632D+00 -0.185393D+01 -0.399981D+00
      3   0.560520D+00 -0.949803D+00 -0.913753D+00  0.143596D+01 -0.115531D+01
               111           112           113           114           115 
      1  -0.100233D+01  0.258147D+00  0.143644D+01  0.768081D+00 -0.200395D+01
      2   0.298544D+01 -0.741857D+00 -0.167619D+01 -0.318908D+01  0.120976D+01
      3  -0.819861D+00 -0.609048D+00  0.687765D+00  0.195637D+01 -0.163333D+01
               116           117 
      1   0.303455D+01  0.649576D+01
      2  -0.124214D+01 -0.145411D+02
      3   0.306918D+01  0.372009D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.164986D+01 -0.602791D+01  0.283540D+01 -0.266583D+01  0.109389D+02
      2  -0.296475D+01  0.828789D+01 -0.504686D+01  0.520656D+01 -0.731968D+01
      3   0.131490D+01 -0.225998D+01  0.221146D+01 -0.254073D+01 -0.361917D+01
      4  -0.347561D+01  0.971330D+00 -0.176156D+01 -0.106557D+01 -0.291566D+01
      5   0.454084D+01 -0.181285D+01 -0.333361D-01  0.372879D-01 -0.290501D+01
      6  -0.141326D+01 -0.184708D+01  0.266764D+01  0.337373D+00  0.372322D+01
                 6             7             8             9            10 
      1  -0.616006D+01  0.191332D+01 -0.443838D+01  0.815129D+01  0.165163D+01
      2   0.459619D+01 -0.262939D+01  0.230283D+01 -0.515412D+00 -0.296654D+01
      3   0.156387D+01  0.716068D+00  0.213555D+01 -0.763588D+01  0.131492D+01
      4   0.726951D+00 -0.455578D+00 -0.111870D+01 -0.293990D+01  0.347563D+01
      5   0.684756D+01  0.476738D+01  0.185550D+00 -0.610992D+01  0.454067D+01
      6  -0.918300D+01 -0.231417D+01 -0.575892D+00  0.696009D+01  0.141357D+01
                11            12            13            14            15 
      1   0.602898D+01  0.283586D+01  0.266669D+01  0.109411D+02  0.616045D+01
      2  -0.828825D+01 -0.504744D+01 -0.520672D+01 -0.732110D+01 -0.459627D+01
      3   0.225928D+01  0.221158D+01  0.254003D+01 -0.362002D+01 -0.156418D+01
      4   0.971543D+00  0.176138D+01 -0.106537D+01  0.291615D+01  0.727547D+00
      5   0.181369D+01 -0.330028D-01 -0.364080D-01 -0.290314D+01 -0.684730D+01
      6  -0.184672D+01 -0.266764D+01  0.337920D+00 -0.372292D+01 -0.918328D+01
                16            17            18            19            20 
      1   0.191321D+01  0.443791D+01  0.815029D+01  0.572514D+01 -0.277738D-03
      2  -0.262938D+01 -0.230240D+01 -0.514891D+00  0.641897D+01  0.156233D-03
      3   0.716178D+00 -0.213551D+01 -0.763540D+01 -0.121441D+02  0.121505D-03
      4   0.455633D+00 -0.111819D+01  0.294043D+01 -0.162974D-04  0.325482D+02
      5   0.476622D+01 -0.185376D+00 -0.611036D+01 -0.248799D+01 -0.216635D-03
      6   0.231427D+01 -0.575820D+00 -0.696065D+01 -0.134436D-03  0.742889D+01
                21            22            23            24            25 
      1  -0.659244D+01 -0.529753D-03 -0.532940D+02 -0.310751D-03 -0.281695D+01
      2   0.792450D+01  0.322327D-03  0.793897D+02  0.371767D-03  0.732358D+01
      3  -0.133205D+01  0.207427D-03 -0.260957D+02 -0.610161D-04 -0.450663D+01
      4   0.763010D-04  0.237141D+02 -0.845829D-04 -0.204802D+00 -0.786723D-04
      5   0.169692D+02 -0.488937D-03  0.413926D+01 -0.271735D-04  0.144845D+02
      6  -0.733398D-04  0.176451D+01 -0.133050D-03  0.318381D+02 -0.799565D-04
                26            27            28            29            30 
      1  -0.261824D-03 -0.213935D+02 -0.121026D+02 -0.107980D+02 -0.147415D+02
      2   0.271056D-03  0.127113D+01  0.964434D+01  0.903484D+01  0.856868D+01
      3  -0.923177D-05  0.201224D+02  0.245826D+01  0.176319D+01  0.617285D+01
      4   0.312188D+01 -0.202635D-03 -0.972562D+01 -0.187343D+01  0.250576D-01
      5  -0.329995D-03 -0.226393D+01 -0.178012D+02 -0.161380D+01 -0.833473D+01
      6   0.324423D+02  0.122452D-04  0.321038D+01 -0.457159D+00  0.200658D+01
                31            32            33            34            35 
      1  -0.165011D+02  0.409266D+01 -0.583456D+01 -0.181386D+02 -0.245068D+01
      2   0.170689D+02 -0.192932D+02  0.256276D+01  0.813067D+01  0.161564D+01
      3  -0.567785D+00  0.152006D+02  0.327180D+01  0.100079D+02  0.835038D+00
      4  -0.109094D+02  0.293256D+02 -0.241443D+01  0.235405D+00 -0.301064D+01
      5  -0.318284D+01 -0.277125D+01 -0.110720D+02 -0.116110D+02 -0.737231D+01
      6   0.130654D-02  0.129888D+01  0.324824D+01  0.145407D+01  0.383863D+01
                36            37            38            39            40 
      1  -0.850228D+01 -0.121060D+02  0.107997D+02 -0.147406D+02  0.165047D+02
      2   0.131161D+02  0.964592D+01 -0.903728D+01  0.856839D+01 -0.170718D+02
      3  -0.461378D+01  0.246010D+01 -0.176244D+01  0.617223D+01  0.567111D+00
      4  -0.641553D+01  0.972750D+01 -0.187674D+01 -0.233990D-01 -0.109140D+02
      5   0.174127D+02 -0.177995D+02  0.161420D+01 -0.833022D+01  0.318282D+01
      6  -0.626056D+01 -0.320989D+01 -0.457574D+00 -0.200563D+01 -0.116978D-02
                41            42            43            44            45 
      1   0.408632D+01  0.583793D+01 -0.181372D+02  0.245343D+01 -0.849516D+01
      2  -0.192893D+02 -0.256829D+01  0.812876D+01 -0.162201D+01  0.131121D+02
      3   0.152030D+02 -0.326964D+01  0.100084D+02 -0.831424D+00 -0.461693D+01
      4  -0.293255D+02 -0.242104D+01 -0.234905D+00 -0.301788D+01  0.641286D+01
      5  -0.277907D+01  0.110683D+02 -0.116053D+02  0.736922D+01  0.174186D+02
      6  -0.130483D+01  0.324742D+01 -0.145373D+01  0.383750D+01  0.626417D+01
                46            47            48            49            50 
      1   0.864440D+00 -0.149937D+01  0.290150D+01 -0.111760D+01 -0.622299D+01
      2  -0.272339D+01  0.297319D+00 -0.331597D+00  0.115291D+01  0.195714D+01
      3   0.185895D+01  0.120205D+01 -0.256990D+01 -0.353135D-01  0.426585D+01
      4  -0.478556D+00  0.324330D+01 -0.210637D+01  0.309313D+01 -0.287656D+00
      5   0.246978D+00 -0.185790D+01  0.511922D+01 -0.162315D+01  0.202028D+01
      6  -0.190694D+01 -0.182494D+01  0.113302D+01 -0.486088D+00 -0.565542D+01
                51            52            53            54            55 
      1   0.469471D+01  0.167992D+01  0.543406D+01 -0.169293D+02  0.864630D+00
      2  -0.488202D+00 -0.155008D+01  0.285858D+01 -0.100304D+02 -0.272334D+01
      3  -0.420651D+01 -0.129838D+00 -0.829264D+01  0.269597D+02  0.185871D+01
      4   0.407237D+00 -0.297161D+01  0.959073D+00  0.568007D+00  0.478421D+00
      5  -0.239559D+01  0.339737D+01 -0.276258D+01  0.751404D+01  0.247098D+00
      6   0.103941D+02 -0.175105D+00  0.849120D+01 -0.140923D+02  0.190709D+01
                56            57            58            59            60 
      1   0.149945D+01  0.290166D+01  0.111760D+01 -0.622309D+01 -0.469484D+01
      2  -0.297422D+00 -0.331573D+00 -0.115326D+01  0.195695D+01  0.488236D+00
      3  -0.120203D+01 -0.257009D+01  0.356562D-01  0.426614D+01  0.420661D+01
      4   0.324329D+01  0.210649D+01  0.309290D+01  0.287352D+00  0.407162D+00
      5   0.185798D+01  0.511910D+01  0.162288D+01  0.202010D+01  0.239576D+01
      6  -0.182502D+01 -0.113320D+01 -0.486107D+00  0.565554D+01  0.103943D+02
                61            62            63            64            65 
      1   0.167979D+01 -0.543390D+01 -0.169290D+02  0.461976D+02  0.627878D+01
      2  -0.154986D+01 -0.285867D+01 -0.100305D+02 -0.276382D+02 -0.514260D+01
      3  -0.129936D+00  0.829257D+01  0.269596D+02 -0.185594D+02 -0.113619D+01
      4   0.297176D+01  0.959164D+00 -0.568203D+00  0.134893D+01  0.722126D+01
      5   0.339748D+01  0.276252D+01  0.751382D+01  0.168604D+02  0.219987D+01
      6   0.174953D+00  0.849120D+01  0.140926D+02 -0.181435D+01  0.292205D+00
                66            67            68            69            70 
      1   0.139132D+02  0.166428D+02  0.491602D+01  0.439379D+01  0.198959D+02
      2  -0.913767D+01 -0.108795D+02 -0.886971D+00 -0.349294D+01 -0.134201D+02
      3  -0.477550D+01 -0.576332D+01 -0.402905D+01 -0.900843D+00 -0.647578D+01
      4   0.993297D+00  0.915323D+01  0.279684D+01  0.401569D+01 -0.203765D+00
      5   0.134015D+02  0.565231D+01  0.386880D+01  0.671121D+01  0.158846D+02
      6  -0.228639D+01  0.598942D+00  0.904122D+00  0.686931D+00 -0.146267D+01
                71            72            73            74            75 
      1   0.153404D+01  0.937175D+01  0.569429D+01 -0.476913D+01  0.204381D+01
      2  -0.218756D+01 -0.101879D+02  0.748661D+00 -0.680184D+00 -0.104443D+01
      3   0.653516D+00  0.816193D+00 -0.644295D+01  0.544931D+01 -0.999378D+00
      4   0.517477D+01  0.214692D+01 -0.824603D+01  0.113385D+02  0.418730D-01
      5   0.289372D+01  0.116799D+02  0.174675D+01  0.137203D+00  0.261764D+01
      6   0.130445D+01 -0.608327D+00 -0.233819D+00 -0.422172D-01 -0.914353D+00
                76            77            78            79            80 
      1  -0.636944D+01 -0.122363D+02  0.111767D+01  0.349160D+01  0.219157D+00
      2  -0.597862D+01  0.367169D+02 -0.157954D+01 -0.175624D+01 -0.100298D+01
      3   0.123481D+02 -0.244806D+02  0.461873D+00 -0.173536D+01  0.783819D+00
      4   0.232660D+02 -0.442740D+02  0.900890D+00 -0.100616D+01  0.194540D+01
      5   0.821253D+00  0.776038D+00 -0.551485D+01  0.464811D+01 -0.491412D+01
      6  -0.609289D+00  0.532815D+00  0.704284D+01 -0.278712D+01  0.688420D+01
                81            82            83            84            85 
      1  -0.599228D+00  0.552965D+01  0.183458D+01 -0.348122D+01  0.537517D+01
      2   0.156610D+01 -0.562391D+01 -0.143785D+01  0.294218D+01 -0.428783D+01
      3  -0.966871D+00  0.942634D-01 -0.396731D+00  0.539036D+00 -0.108735D+01
      4  -0.411488D+01  0.137810D+01  0.170595D+01  0.118879D+00  0.262782D+01
      5  -0.489240D+00 -0.421835D+01 -0.387780D+00  0.875062D+01 -0.209344D+01
      6  -0.309161D+00  0.355871D+00  0.164746D+00 -0.104740D+01 -0.593407D+00
                86            87            88            89            90 
      1  -0.762702D+00  0.103871D+00 -0.752137D+01  0.121778D+00 -0.799273D+00
      2   0.973050D+00  0.266389D+01  0.747598D+01  0.215435D+01 -0.145877D+02
      3  -0.210348D+00 -0.276776D+01  0.453875D-01 -0.227613D+01  0.153870D+02
      4  -0.384045D+00 -0.340281D+01  0.248210D+01 -0.551092D+01  0.233847D+01
      5  -0.305898D+01  0.635400D+01  0.136936D+02  0.186654D+01 -0.287442D+02
      6  -0.764307D+00  0.189755D+01 -0.232407D+01  0.271722D+01  0.761108D+01
                91            92            93            94            95 
      1   0.461995D+02 -0.628203D+01  0.139108D+02 -0.166484D+02  0.491832D+01
      2  -0.276392D+02  0.514455D+01 -0.913608D+01  0.108827D+02 -0.888081D+00
      3  -0.185603D+02  0.113748D+01 -0.477470D+01  0.576565D+01 -0.403024D+01
      4  -0.135340D+01  0.722214D+01 -0.994678D+00  0.915531D+01 -0.279945D+01
      5   0.168566D+02 -0.220084D+01  0.133986D+02 -0.565289D+01  0.386954D+01
      6   0.181322D+01  0.291848D+00  0.228543D+01  0.598885D+00 -0.903683D+00
                96            97            98            99           100 
      1  -0.439486D+01  0.198926D+02 -0.153486D+01  0.936964D+01  0.569638D+01
      2   0.349387D+01 -0.134176D+02  0.218845D+01 -0.101857D+02  0.748007D+00
      3   0.900992D+00 -0.647503D+01 -0.653590D+00  0.816050D+00 -0.644439D+01
      4   0.401637D+01  0.201957D+00  0.517474D+01 -0.214802D+01  0.824821D+01
      5  -0.671197D+01  0.158812D+02 -0.289437D+01  0.116751D+02  0.174761D+01
      6   0.686693D+00  0.146135D+01  0.130429D+01  0.606572D+00  0.234838D+00
               101           102           103           104           105 
      1   0.476936D+01  0.204440D+01  0.636951D+01 -0.122327D+02 -0.111936D+01
      2   0.681394D+00 -0.104438D+01  0.597950D+01  0.367140D+02  0.158259D+01
      3  -0.545075D+01 -0.100001D+01 -0.123490D+02 -0.244813D+02 -0.463226D+00
      4   0.113409D+02 -0.406747D-01  0.232682D+02  0.442747D+02  0.905336D+00
      5  -0.136012D+00  0.261761D+01 -0.819065D+00  0.781006D+00  0.551555D+01
      6  -0.417011D-01  0.914724D+00 -0.607131D+00 -0.527016D+00  0.704284D+01
               106           107           108           109           110 
      1   0.349309D+01 -0.220520D+00 -0.599809D+00  0.552765D+01 -0.183414D+01
      2  -0.175637D+01  0.100645D+01  0.156653D+01 -0.562266D+01  0.143744D+01
      3  -0.173673D+01 -0.785931D+00 -0.966725D+00  0.950160D-01  0.396697D+00
      4   0.100920D+01  0.195146D+01  0.411576D+01 -0.137758D+01  0.170575D+01
      5   0.464775D+01  0.491497D+01 -0.487288D+00 -0.421724D+01  0.386577D+00
      6   0.278740D+01  0.688436D+01  0.311600D+00 -0.356572D+00  0.164729D+00
               111           112           113           114           115 
      1  -0.348070D+01 -0.537361D+01 -0.762828D+00 -0.104503D+00 -0.752032D+01
      2   0.294125D+01  0.428679D+01  0.973206D+00 -0.266249D+01  0.747494D+01
      3   0.539446D+00  0.108681D+01 -0.210378D+00  0.276700D+01  0.453789D-01
      4  -0.120246D+00  0.262778D+01  0.385744D+00 -0.340156D+01 -0.248396D+01
      5   0.874919D+01  0.209173D+01 -0.305758D+01 -0.635063D+01  0.136923D+02
      6   0.104729D+01 -0.593187D+00  0.763861D+00  0.189854D+01  0.232487D+01
               116           117 
      1  -0.121862D+00 -0.802970D+00
      2  -0.215305D+01 -0.145869D+02
      3   0.227491D+01  0.153898D+02
      4  -0.551016D+01 -0.233572D+01
      5  -0.186344D+01 -0.287467D+02
      6   0.271838D+01 -0.761501D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.857373D+00      0.217922D+01      0.726911D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y         -0.857373D+00     -0.217922D+01     -0.726911D+01
   z          0.000000D+00      0.000000D+00      0.000000D+00

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.661957D+02      0.980919D+01      0.109142D+02
   aniso      0.181497D+02      0.268950D+01      0.299247D+01
   xx         0.713328D+02      0.105704D+02      0.117612D+02
   yx        -0.252441D-04     -0.374078D-05     -0.416218D-05
   yy         0.729207D+02      0.108057D+02      0.120230D+02
   zx         0.190755D+01      0.282670D+00      0.314512D+00
   zy         0.152110D-03      0.225403D-04      0.250795D-04
   zz         0.543334D+02      0.805139D+01      0.895838D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  488.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.712725D+02      0.105615D+02      0.117512D+02
   aniso      0.169632D+02      0.251369D+01      0.279686D+01
   xx         0.760442D+02      0.112686D+02      0.125380D+02
   yx        -0.158466D-04     -0.234823D-05     -0.261275D-05
   yy         0.777620D+02      0.115231D+02      0.128212D+02
   zx         0.262553D+00      0.389063D-01      0.432891D-01
   zy         0.125210D-03      0.185542D-04      0.206443D-04
   zz         0.600113D+02      0.889276D+01      0.989453D+01

 ----------------------------------------------------------------------

 Dipole orientation:
     6          1.13286900          0.81515011          0.69897180
     6         -1.13286777         -0.81515026          0.69898333
    16         -0.00000159         -0.00000351         -2.47732323
     6          3.66386852         -0.17791381          1.53375679
     6         -3.66386502          0.17791726          1.53374681
     1          0.78491925          2.78418311          1.15931387
     1         -0.78490771         -2.78417580          1.15934796
     1          5.20040593          0.90919957          0.69395049
     1          3.83712300         -0.04598415          3.59026126
     1          3.89398470         -2.14851187          0.97868050
     1         -5.20040845         -0.90895217          0.69362816
     1         -3.83728941          0.04562999          3.59021235
     1         -3.89382273          2.14862693          0.97900207

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.857373D+00      0.217922D+01      0.726911D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.857373D+00      0.217922D+01      0.726911D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.661957D+02      0.980919D+01      0.109142D+02
   aniso      0.181497D+02      0.268950D+01      0.299247D+01
   xx         0.713328D+02      0.105704D+02      0.117612D+02
   yx         0.190760D+01      0.282678D+00      0.314521D+00
   yy         0.543335D+02      0.805139D+01      0.895838D+01
   zx         0.204132D-04      0.302492D-05      0.336568D-05
   zy        -0.148075D-03     -0.219425D-04     -0.244143D-04
   zz         0.729207D+02      0.108057D+02      0.120230D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  488.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.712725D+02      0.105615D+02      0.117512D+02
   aniso      0.169632D+02      0.251369D+01      0.279686D+01
   xx         0.760442D+02      0.112686D+02      0.125380D+02
   yx         0.262604D+00      0.389139D-01      0.432975D-01
   yy         0.600113D+02      0.889276D+01      0.989453D+01
   zx         0.104249D-04      0.154482D-05      0.171884D-05
   zy        -0.126304D-03     -0.187163D-04     -0.208247D-04
   zz         0.777620D+02      0.115231D+02      0.128212D+02

 ----------------------------------------------------------------------
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 We're simply so accustomed to the marvels of everyday thought
 that we never wonder about it.
 -- Marvin Minsky in "Why people think computers are smart"
 Job cpu time:       0 days  0 hours 27 minutes 20.2 seconds.
 Elapsed time:       0 days  0 hours  1 minutes 43.4 seconds.
 File lengths (MBytes):  RWF=    114 Int=      0 D2E=      0 Chk=      5 Scr=      2
 Normal termination of Gaussian 16 at Sat Jul 24 16:54:31 2021.
